![CAS 796874-99-2 (2S)-1-[[(2S)-1-(1-Oxo-4-phenylbutyl)-2-pyrrolidinyl]carbonyl]-2-pyrrolidinecarbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/796874-99-2.gif)
CAS RN: 796874-99-2
(2S)-1-[[(2S)-1-(1-Oxo-4-phenylbutyl)-2-pyrrolidinyl]carbonyl]-2-pyrrolidinecarbonitrile
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260529 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250526 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260319 | 10mg / 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250620 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251203 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250113 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS796874-99-2
- Purity/Analytical Methods: >99.0%
796874-99-2 / (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
Basic Information
CAS
796874-99-2
Multi CAS
Yes
Molecular Formula
C20H25N3O2
Molecular Weight
339.400000
Exact Mass
339.194677
InChI
InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
InChIKey
SPXFAUXQZWJGCJ-ROUUACIJSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
94.46
TPSA
64.41
LogP / Solubility
WLOGP
2.51
MLOGP
2.23
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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