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CAS 7499-04-9 2-(1-hydroxycyclopentyl)acetic acid molecular structure lightbox
CAS RN: 7499-04-9

2-(1-hydroxycyclopentyl)acetic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS7499-04-9
  • Purity/Analytical Methods: >99.0%
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7499-04-9 / 2-(1-hydroxycyclopentyl)acetic acid

Standard CAS: 7499-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7499-04-9
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c8-6(9)5-7(10)3-1-2-4-7/h10H,1-5H2,(H,8,9)
InChIKey
DBPKXKVVVZWLEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.67
TPSA
57.53

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.7
Consensus LogP
0.71
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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