CAS RN: 654633-87-1
2-Pyrrolidinone, 4-(2-methylphenyl)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260108 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS654633-87-1
- Purity/Analytical Methods: >99.0%
654633-87-1 / 4-(2-methylphenyl)pyrrolidin-2-one
Basic Information
CAS
654633-87-1
Multi CAS
No
Molecular Formula
C11H13NO
Molecular Weight
175.230000
Exact Mass
175.099714
InChI
InChI=1S/C11H13NO/c1-8-4-2-3-5-10(8)9-6-11(13)12-7-9/h2-5,9H,6-7H2,1H3,(H,12,13)
InChIKey
SULSTGCMRTVOSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.55
TPSA
29.1
LogP / Solubility
WLOGP
1.6
MLOGP
1.4
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
-
2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]isonicotinic acid
- CAS RN: 654663-42-0
- Product Code: SSC-175122
-
Acantrifoic acid A
- CAS RN: 654663-85-1
- Product Code: starshine_CAS654663-85-1
- Purity/Analytical method: >99.0%
-
![CAS 654663-42-0 2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]isonicotinic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/654663-42-0.gif)
