CAS RN: 28311-22-0
2-Pyrolidinone, 4-(2-Chlorophenyl)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250105 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS28311-22-0
- Purity/Analytical Methods: >99.0%
28311-22-0 / 4-(2-chlorophenyl)pyrrolidin-2-one
Basic Information
CAS
28311-22-0
Multi CAS
No
Molecular Formula
C10H10ClNO
Molecular Weight
195.640000
Exact Mass
195.045092
InChI
InChI=1S/C10H10ClNO/c11-9-4-2-1-3-8(9)7-5-10(13)12-6-7/h1-4,7H,5-6H2,(H,12,13)
InChIKey
BVCDQJGBLFWXEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.82
TPSA
29.1
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.6
Consensus LogP
1.75
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
