CAS RN: 915205-76-4
(2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid dibenzyl amide
- Product code: SSC-204743
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
915205-76-4 / (2S,4R)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
Basic Information
CAS
915205-76-4
Multi CAS
Yes
Molecular Formula
C19H22N2O2
Molecular Weight
310.400000
Exact Mass
310.168128
InChI
InChI=1S/C19H22N2O2/c22-17-11-18(20-12-17)19(23)21(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17-18,20,22H,11-14H2/t17-,18+/m1/s1
InChIKey
ONGZRIRZKQFXRQ-MSOLQXFVSA-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
2
Molar refractivity
89.55
TPSA
52.57
LogP / Solubility
WLOGP
1.94
MLOGP
1.72
XLogP3
1.9
Consensus LogP
1.85
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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