CAS RN: 6837-24-7
1-Cyclohexyl-2-pyrrolidone
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: ICTC0963
- Purity/Analytical Methods: >99.0%(GC)
6837-24-7 / 1-cyclohexylpyrrolidin-2-one
Basic Information
CAS
6837-24-7
Multi CAS
Yes
Molecular Formula
C10H17NO
Molecular Weight
167.250000
Exact Mass
167.131014
InChI
InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2
InChIKey
PZYDAVFRVJXFHS-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
Pale yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.82
TPSA
20.31
LogP / Solubility
WLOGP
1.94
MLOGP
1.7
XLogP3
1.6
Consensus LogP
1.75
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
