CAS RN: 50888-84-1
BENZYL (S)-(-)-2-(1-PYRROLIDINYLCARBONYL)-1-PYRROLIDINECARBOXYLATE
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.20250403 | 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS50888-84-1
- Purity/Analytical Methods: >99.0%
50888-84-1 / benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
Basic Information
CAS
50888-84-1
Multi CAS
Yes
Molecular Formula
C17H22N2O3
Molecular Weight
302.370000
Exact Mass
302.163043
InChI
InChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m0/s1
InChIKey
VJDNUCLKCQKXMM-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
82.17
TPSA
49.85
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
-
1-chloro-2-(methylsulfonyl)ethane(SALTDATA: FREE)
- CAS RN: 50890-51-2
- Product Code: SSC-157636
-
-
8-Chloro-5,10-dihydrodibenzo[b,e][1,4]diazepin-11-one
- CAS RN: 50892-62-1
- Product Code: SSC-157641
-
1-Acetyl-carboline
- CAS RN: 50892-83-6
- Product Code: starshine_CAS50892-83-6
- Purity/Analytical method: >99.0%
-
![CAS 50891-90-2 5-bromobenzo[b]thiophene-2,3-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/50891-90-2.gif)
![CAS 50892-62-1 8-Chloro-5,10-dihydrodibenzo[b,e][1,4]diazepin-11-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/50892-62-1.gif)
