CAS RN: 132622-92-5
Benzyl (4R)-1-Boc-4-hydroxy-D-prolinate
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.20260630 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS132622-92-5
- Purity/Analytical Methods: >99.0%
132622-92-5 / 2-O-benzyl 1-O-tert-butyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
Basic Information
CAS
132622-92-5
Multi CAS
No
Molecular Formula
C17H23NO5
Molecular Weight
321.400000
Exact Mass
321.157623
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-10-13(19)9-14(18)15(20)22-11-12-7-5-4-6-8-12/h4-8,13-14,19H,9-11H2,1-3H3/t13-,14-/m1/s1
InChIKey
BEIPCYKSYYZEJH-ZIAGYGMSSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.59
TPSA
76.07
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
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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