CAS 10237-77-1 3-HYDROXYPENTANOIC ACID molecular structure

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CAS RN: 10237-77-1

3-HYDROXYPENTANOIC ACID

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20251210	5mg / 10mg / 50mg / 250mg / 1g / 5g	Confirm by inquiry	Shanghai, Guangdong, Shandong, Hebei	15 business days	Inquiry

Product code: starshine_CAS10237-77-1
Purity/Analytical Methods: >99.0%

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10237-77-1 / 3-hydroxypentanoic acid

3-Hydroxypentanoic acid | 3-hydroxyvaleric acid | beta-Hydroxyvaleric acid

Standard CAS: 10237-77-1 Multi CAS: Yes

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

10237-77-1

Multi CAS

Yes

Molecular Formula

C5H10O3

Molecular Weight

118.130000

Exact Mass

118.062994

SMILES

CCC(CC(=O)O)O

InChI

InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)

InChIKey

REKYPYSUBKSCAT-UHFFFAOYSA-N

Synonyms

3-Hydroxypentanoic acid 3-hydroxyvaleric acid beta-Hydroxyvaleric acid 3-hydroxy-pentanoic acid 9D6K40J6UZ

Physical Properties

Physical Description

Solid

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.8

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

28.55

TPSA

57.53

LogP / Solubility

WLOGP

0.23

MLOGP

0.19

Consensus LogP

0.14

Log S (ESOL)

-0.52

Class (ESOL)

Very soluble

Log S (Ali)

-0.7

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.98

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.28

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501