![CAS 529486-25-7 (2S)-N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-2-Pyrrolidinecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/529486-25-7.gif)
CAS RN: 529486-25-7
(2S)-N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-2-Pyrrolidinecarboxamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251114 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS529486-25-7
- Purity/Analytical Methods: >99.0%
529486-25-7 / (2S)-N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyrrolidine-2-carboxamide
Basic Information
CAS
529486-25-7
Multi CAS
Yes
Molecular Formula
C19H22N2O2
Molecular Weight
310.400000
Exact Mass
310.168128
InChI
InChI=1S/C19H22N2O2/c22-18(15-10-5-2-6-11-15)17(14-8-3-1-4-9-14)21-19(23)16-12-7-13-20-16/h1-6,8-11,16-18,20,22H,7,12-13H2,(H,21,23)/t16-,17-,18+/m0/s1
InChIKey
JVOUIFUIIPEWLM-OKZBNKHCSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
89.75
TPSA
61.36
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
2
Consensus LogP
2.13
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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