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CAS 61023-76-5 1-(2,4-dichlorophenyl)cyclopentane-1-carboxylic acid molecular structure lightbox
CAS RN: 61023-76-5

1-(2,4-dichlorophenyl)cyclopentane-1-carboxylic acid

  • Product code: SSC-169759
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 61023-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

61023-76-5 / 1-(2,4-dichlorophenyl)cyclopentane-1-carboxylic acid

Standard CAS: 61023-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61023-76-5
Multi CAS
No
Molecular Formula
C12H12CL2O2
Molecular Weight
259.120000
Exact Mass
258.021435
InChI
InChI=1S/C12H12Cl2O2/c13-8-3-4-9(10(14)7-8)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKey
CJVNUENSNUSROF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.24
TPSA
37.3

LogP / Solubility

WLOGP
3.89
MLOGP
3.43
XLogP3
4.1
Consensus LogP
3.81
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

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

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