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Propyl 4-(5-formyl-2-furyl)benzoate , CAS No.425632-42-4

COA COA
In stock
Item Number
P668657
Grouped product items
SKU Size
Availability
 Price Qty
P668657-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
P668657-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms propyl 4-(5-formylfuran-2-yl)benzoate | propyl 4-(5-formyl-2-furyl)benzoate | MLS000680533 | SMR000268707 | 4-(5-formyl-2-furanyl)benzoic acid propyl ester | Oprea1_450218 | BDBM43722 | cid_1714230 | CHEBI:115496 | HMS2527J24 | MFCD02221120 | STK135757 |

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent Benzoic acid esters
Alternative Parents Benzoyl derivatives  Aryl-aldehydes  Heteroaromatic compounds  Furans  Carboxylic acid esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Benzoate ester - Benzoyl - Aryl-aldehyde - Heteroaromatic compound - Furan - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Aldehyde - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors Not available

Product Properties

ALogP 3.2

Associated Targets(Human)

STAT1 Tchem Signal transducer and activator of transcription 1-alpha/beta (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
STAT1 Tchem Signal transducer and activator of transcription 1-alpha/beta (808 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
microRNA 21 (64692 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NS1 Nonstructural protein 1 (33327 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name propyl 4-(5-formylfuran-2-yl)benzoate
INCHI InChI=1S/C15H14O4/c1-2-9-18-15(17)12-5-3-11(4-6-12)14-8-7-13(10-16)19-14/h3-8,10H,2,9H2,1H3
InChIKey IUSZPBINXWIYTP-UHFFFAOYSA-N
Smiles CCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O
Isomeric SMILES CCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O
PubChem CID 1714230
Molecular Weight 258.269

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 258.269 g/mol
XLogP3 3.200
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 258.089 Da
Monoisotopic Mass 258.089 Da
Topological Polar Surface Area 56.500 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 307.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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