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(E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein - ≥97.0%(HPLC), high purity , CAS No.93957-50-7

COA

Grade & Purity:

≥97%(HPLC)

Cas Number: 93957-50-7
Molecular Weight: 307.37
MDL number: MFCD03840863
PubChem CID: 9926593
PubChem SID: 504765104

In stock

Item Number

E139464

Grouped product items
SKU	Size	Availability	Price	Qty
E139464-5g	5g	1	$163.90
E139464-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$563.90

View related series

azole (525) Five-Membered Heterocyclic Compounds (2064)

Basic Description

Synonyms	3-(3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl)-(E)-2-propenal \| A1-01698 \| 3-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-INDOL-2-YL]-(E)-2-PROPENAL \| (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)-1h-indol-2''-yl]-2-propnal \| (E)-3-[3'-(4'-Fluorop
Specifications & Purity	≥97%(HPLC)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	(E)-3-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-propenal is a reactant used in the synthesis of Fluvastatin (F601250), a synthetic HMG-CoA reductase inhibitor. Antilipemic. A reactant used in the synthesis of Fluvastatin (F601250), a synthetic HMG-CoA reductase inhibitor. Antilipemic.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrroles
Alternative Parents	N-alkylindoles Indoles Fluorobenzenes Aryl fluorides Heteroaromatic compounds Enals Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-phenylpyrrole - N-alkylindole - Indole - Indole or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated aldehyde - Heteroaromatic compound - Enal - Azacycle - Aldehyde - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504765104
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765104
IUPAC Name	(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
INCHI	InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+
InChIKey	DVWHSTKQJBIYCK-VMPITWQZSA-N
Smiles	CC(C)N1C2=CC=CC=C2C(=C1C=CC=O)C3=CC=C(C=C3)F
Isomeric SMILES	CC(C)N1C2=CC=CC=C2C(=C1/C=C/C=O)C3=CC=C(C=C3)F
Molecular Weight	307.37
Reaxy-Rn	14289211
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14289211&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
E1703022	Certificate of Analysis	Dec 07, 2022	E139464

Chemical and Physical Properties

Sensitivity	Air sensitive
Melt Point(°C)	131 °C
Molecular Weight	307.400 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	307.137 Da
Monoisotopic Mass	307.137 Da
Topological Polar Surface Area	22.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	427.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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