CAS RN: 839711-69-2
N-(Phenylsulfonyl)-L-proline-2-carboxamide
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.20250817 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS839711-69-2
- Purity/Analytical Methods: >99.0%
839711-69-2 / (2S)-N-(benzenesulfonyl)pyrrolidine-2-carboxamide
Basic Information
CAS
839711-69-2
Multi CAS
Yes
Molecular Formula
C11H14N2O3S
Molecular Weight
254.310000
Exact Mass
254.072513
InChI
InChI=1S/C11H14N2O3S/c14-11(10-7-4-8-12-10)13-17(15,16)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)/t10-/m0/s1
InChIKey
NMTZACKICMFJBK-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.8
TPSA
75.27
LogP / Solubility
WLOGP
0.24
MLOGP
0.22
XLogP3
0.8
Consensus LogP
0.42
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-4.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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