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CAS 143328-15-8 Cyclopentanecarbonitrile, 1-(2-chlorophenyl)- molecular structure lightbox
CAS RN: 143328-15-8

Cyclopentanecarbonitrile, 1-(2-chlorophenyl)-

  • Product code: SSC-054717
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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 143328-15-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

143328-15-8 / 1-(2-chlorophenyl)cyclopentane-1-carbonitrile

Standard CAS: 143328-15-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143328-15-8
Multi CAS
No
Molecular Formula
C12H12ClN
Molecular Weight
205.680000
Exact Mass
205.065827
SMILES
C1CCC(C1)(C#N)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H12ClN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKey
ZFUMRJIGCNUOFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.21
TPSA
23.79

LogP / Solubility

WLOGP
3.68
MLOGP
3.24
XLogP3
3.6
Consensus LogP
3.51
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-1.37

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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