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17β-HSD
4′-Hydroxyvalerophenone - 98%, high purity , CAS No.2589-71-1

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4′-Hydroxyvalerophenone - 98%, high purity , CAS No.2589-71-1

COA

Grade & Purity:

≥98%

Cas Number: 2589-71-1
Molecular Weight: 178.23
Beilstein Registry Number: 8(3)480
EC Number: 219-978-7
MDL number: MFCD00009719
PubChem CID: 75766
PubChem SID: 488185162

In stock

Item Number

H103147

Grouped product items
SKU	Size	Availability	Price
H103147-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$21.90
H103147-25g	25g	8	$83.90
H103147-100g	100g	2	$255.90
H103147-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$982.90

View related series

ketone (798) Lipid metabolism (1912) Non heterocyclic block (8163)

Basic Description

Synonyms	HMS1513O16 \| 4-Valerylphenol \| CIS-4-CHLORO-2-BUTENYLAMINEHYDROCHLORIDE \| ChemDiv3_014404 \| p-Hydroxyvalerophenone \| 1-Pentanone, 1-(4-hydroxyphenyl)- \| DTXSID6062541 \| SCHEMBL420677 \| AKOS001581070 \| SY009664 \| 4'-Hydroxyvalerophenone, 98% \| EU-0033275 \|
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Butyrophenones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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

Associated Targets(Human)

HSD17B3 Tchem Estradiol 17-beta-dehydrogenase 3 (821 Activities)

Discover Target: HSD17B3

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)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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

Pubchem Sid	488185162
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185162
IUPAC Name	1-(4-hydroxyphenyl)pentan-1-one
INCHI	InChI=1S/C11H14O2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3
InChIKey	ZKCJJGOOPOIZTE-UHFFFAOYSA-N
Smiles	CCCCC(=O)C1=CC=C(C=C1)O
Isomeric SMILES	CCCCC(=O)C1=CC=C(C=C1)O
WGK Germany	3
Molecular Weight	178.23
Beilstein	8(3)480
Reaxy-Rn	1944229
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1944229&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
F2421067	Certificate of Analysis	Jun 26, 2024	H103147
J1508088	Certificate of Analysis	Jun 08, 2023	H103147
D2314111	Certificate of Analysis	Apr 24, 2023	H103147

Chemical and Physical Properties

Boil Point(°C)	182-183°C
Melt Point(°C)	59.8-62.2°C
Molecular Weight	178.230 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	178.099 Da
Monoisotopic Mass	178.099 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	157.000
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

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