CAS RN: 224627-26-3
1-Boc-4-oxo-D-proline benzyl ester
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.20250508 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS224627-26-3
- Purity/Analytical Methods: >99.0%
224627-26-3 / 2-O-benzyl 1-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate
Basic Information
CAS
224627-26-3
Multi CAS
No
Molecular Formula
C17H21NO5
Molecular Weight
319.400000
Exact Mass
319.141973
SMILES
CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H21NO5/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/h4-8,14H,9-11H2,1-3H3/t14-/m1/s1
InChIKey
JBOGNSRGCLEJEM-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
82.59
TPSA
72.91
LogP / Solubility
WLOGP
2.31
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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