[email protected]
CAS 57774-36-4 4′-Chloro-4-cyanobiphenyl molecular structure lightbox
CAS RN: 57774-36-4

4′-Chloro-4-cyanobiphenyl

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS57774-36-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

57774-36-4 / 4-(4-chlorophenyl)benzonitrile

Standard CAS: 57774-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57774-36-4
Multi CAS
No
Molecular Formula
C13H8CLN
Molecular Weight
213.660000
Exact Mass
213.034527
InChI
InChI=1S/C13H8ClN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H
InChIKey
DVLCPRBAOHXYIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
61.6
TPSA
23.79

LogP / Solubility

WLOGP
3.88
MLOGP
3.41
XLogP3
4.7
Consensus LogP
4
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27

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