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CAS 1142224-60-9 3-cyclopropyl-3-(3-hydroxyphenyl)propanoic acid molecular structure lightbox
CAS RN: 1142224-60-9

3-cyclopropyl-3-(3-hydroxyphenyl)propanoic acid

  • Product code: SSC-014107
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1142224-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1142224-60-9 / 3-cyclopropyl-3-(3-hydroxyphenyl)propanoic acid

3-cyclopropyl-3-(3-hydroxyphenyl)propanoic acid | 3-cyclopropyl-3-(3-hydroxyphenyl)propanoicacid | MFCD24503676

Standard CAS: 1142224-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1142224-60-9
Multi CAS
No
Molecular Formula
C12H14O3
Molecular Weight
206.240000
Exact Mass
206.094294
SMILES
C1CC1C(CC(=O)O)C2=CC(=CC=C2)O
InChI
InChI=1S/C12H14O3/c13-10-3-1-2-9(6-10)11(7-12(14)15)8-4-5-8/h1-3,6,8,11,13H,4-5,7H2,(H,14,15)
InChIKey
QDUBBYWKNCGSOJ-UHFFFAOYSA-N
Synonyms
3-cyclopropyl-3-(3-hydroxyphenyl)propanoic acid 3-cyclopropyl-3-(3-hydroxyphenyl)propanoicacid MFCD24503676 SCHEMBL2498206 SCHEMBL29374616

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.82
TPSA
57.53

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
2.2
Consensus LogP
2.21
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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