[email protected]
CAS 65355-36-4 [trans(trans)]-4′-pentyl[1,1′-bicyclohexyl]-4-carbonitrile molecular structure lightbox
CAS RN: 65355-36-4

[trans(trans)]-4′-pentyl[1,1′-bicyclohexyl]-4-carbonitrile

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS65355-36-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

65355-36-4 / 4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile

Standard CAS: 65355-36-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65355-36-4
Multi CAS
Yes
Molecular Formula
C18H31N
Molecular Weight
261.400000
Exact Mass
261.245650
InChI
InChI=1S/C18H31N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h15-18H,2-13H2,1H3
InChIKey
HWMHRQOJZXBQBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
80.65
TPSA
23.79

LogP / Solubility

WLOGP
5.7
MLOGP
5.03
XLogP3
6.9
Consensus LogP
5.88
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us