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CAS 143328-22-7 1-(2-bromophenyl)cyclopentane-1-carboxylic acid molecular structure lightbox
CAS RN: 143328-22-7

1-(2-bromophenyl)cyclopentane-1-carboxylic acid

  • Product code: SSC-054724
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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 143328-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

143328-22-7 / 1-(2-bromophenyl)cyclopentane-1-carboxylic acid

Standard CAS: 143328-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143328-22-7
Multi CAS
No
Molecular Formula
C12H13BrO2
Molecular Weight
269.130000
Exact Mass
268.009890
SMILES
C1CCC(C1)(C2=CC=CC=C2Br)C(=O)O
InChI
InChI=1S/C12H13BrO2/c13-10-6-2-1-5-9(10)12(11(14)15)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,14,15)
InChIKey
YCGYGNGKIGEKNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.92
TPSA
37.3

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
3.5
Consensus LogP
3.27
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly 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)
-1.99

Drug-likeness / Medicinal Chemistry

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

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