CAS RN: 529486-26-8
(2S,1μS, 2μS)-Pyrrolidine-2-carboxylic acid (2-hydroxy-1,2-diphenyl-ethyl)amide
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.20251111 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS529486-26-8
- Purity/Analytical Methods: >99.0%
529486-26-8 / (2S)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]pyrrolidine-2-carboxamide
Basic Information
CAS
529486-26-8
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-BZSNNMDCSA-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
Customers Also Viewed
-
-
Oxazole, 2,2′-(1-methylethylidene)bis[4,5-dihydro-4,5-diphenyl-, (4S,4’S,5S,5’S)-
- CAS RN: 529489-04-1
- Product Code: SSC-160101
-
CYAYKKUWALRRPA-UHFFFAOYSA-N
- CAS RN: 529493-92-3
- Product Code: starshine_CAS529493-92-3
- Purity/Analytical method: >99.0%
-
-
Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 5-methyl- (9CI)
- CAS RN: 529508-54-1
- Product Code: SSC-160110
-
![CAS 529508-54-1 Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 5-methyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/529508-54-1.gif)
