[email protected]
CAS 214262-92-7 1-(2-CHLORO-4-FLUOROPHENYL)CYCLOPENTANECARBONITRILE, 99 molecular structure lightbox
CAS RN: 214262-92-7

1-(2-CHLORO-4-FLUOROPHENYL)CYCLOPENTANECARBONITRILE, 99

  • Product code: SSC-102713
GET A QUOTE
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
Request Bulk Quote

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 214262-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

214262-92-7 / 1-(2-chloro-4-fluorophenyl)cyclopentane-1-carbonitrile

Standard CAS: 214262-92-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214262-92-7
Multi CAS
No
Molecular Formula
C12H11ClFN
Molecular Weight
223.670000
Exact Mass
223.056405
SMILES
C1CCC(C1)(C#N)C2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C12H11ClFN/c13-11-7-9(14)3-4-10(11)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKey
BGCPHKLPEOZLGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.17
TPSA
23.79

LogP / Solubility

WLOGP
3.81
MLOGP
3.36
XLogP3
3.7
Consensus LogP
3.62
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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)
-1.38

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us