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CAS 731810-73-4 (1S,2S)-rel-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid molecular structure lightbox
CAS RN: 731810-73-4

(1S,2S)-rel-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS731810-73-4
  • Purity/Analytical Methods: >99.0%
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731810-73-4 / 2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid

Standard CAS: 731810-73-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
731810-73-4
Multi CAS
Yes
Molecular Formula
C10H10O3
Molecular Weight
178.180000
Exact Mass
178.062994
InChI
InChI=1S/C10H10O3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9,11H,5H2,(H,12,13)/t8-,9+/m1/s1
InChIKey
SFPUQNBJRXMDHF-BDAKNGLRSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.59
TPSA
57.53

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.3
Consensus LogP
1.42
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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