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CAS 24438-45-7 2-(4-chlorophenyl)-2-cyclopropylacetic acid molecular structure lightbox
CAS RN: 24438-45-7

2-(4-chlorophenyl)-2-cyclopropylacetic acid

  • Product code: SSC-118899
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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: 1g
  • 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 24438-45-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

24438-45-7 / 2-(4-chlorophenyl)-2-cyclopropylacetic acid

Standard CAS: 24438-45-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24438-45-7
Multi CAS
No
Molecular Formula
C11H11ClO2
Molecular Weight
210.650000
Exact Mass
210.044757
SMILES
C1CC1C(C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C11H11ClO2/c12-9-5-3-8(4-6-9)10(11(13)14)7-1-2-7/h3-7,10H,1-2H2,(H,13,14)
InChIKey
FCBCYACIDMQJTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.55
TPSA
37.3

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.93

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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