CAS RN: 66642-35-1
PYR-PNA
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.20260208 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS66642-35-1
- Purity/Analytical Methods: >99.0%
66642-35-1 / (2S)-N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide
Basic Information
CAS
66642-35-1
Multi CAS
Yes
Molecular Formula
C11H11N3O4
Molecular Weight
249.220000
Exact Mass
249.074956
InChI
InChI=1S/C11H11N3O4/c15-10-6-5-9(13-10)11(16)12-7-1-3-8(4-2-7)14(17)18/h1-4,9H,5-6H2,(H,12,16)(H,13,15)/t9-/m0/s1
InChIKey
HGNBEWLBSCSJGV-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.89
TPSA
101.34
LogP / Solubility
WLOGP
0.81
MLOGP
0.72
XLogP3
0.4
Consensus LogP
0.64
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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