Benzyl 1-(tert-butoxycarbonyl)prolylalaninate
TL;DR: Benzyl 1-(tert-butoxycarbonyl)prolylalaninate (CAS 52616-95-2) is a chemical compound with molecular formula C20H28N2O5 and molecular weight 376.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[(1-oxo-1-phenylmethoxypropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
Also Known As: Benzyl 1-(tert-butoxycarbonyl)prolylalaninate, N-[1-(Benzyloxy)-1-oxopropan-2-yl]-1-(tert-butoxycarbonyl)pyrrolidine-2-carboximidic acid, tert-butyl 2-[(1-oxo-1-phenylmethoxypropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate, tert-butyl 2-[(2-benzyloxy-1-methyl-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carboxylate
| Molecular Formula | C20H28N2O5 |
|---|---|
| Molecular Weight | 376.20 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 376.19983 |
| Heavy Atoms | 27 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 52616-95-2 |
|---|---|
| SMILES | CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C |
| InChIKey | VSXLHXWSMDZSOB-UHFFFAOYSA-N |
Product Overview
Benzyl 1-(tert-butoxycarbonyl)prolylalaninate (CAS 52616-95-2), with molecular formula C20H28N2O5 and molecular weight 376.20 g/mol. IUPAC: tert-butyl 2-[(1-oxo-1-phenylmethoxypropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate.
Chemical Property Profile of Benzyl 1-(tert-butoxycarbonyl)prolylalaninate
Property Insights of Benzyl 1-(tert-butoxycarbonyl)prolylalaninate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 1-(tert-butoxycarbonyl)prolylalaninate. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 1-(tert-butoxycarbonyl)prolylalaninate. Following Lipinski's Rule of Five, Benzyl 1-(tert-butoxycarbonyl)prolylalaninate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl 1-(tert-butoxycarbonyl)prolylalaninate?
The CAS number of Benzyl 1-(tert-butoxycarbonyl)prolylalaninate is 52616-95-2.
What is the molecular formula of Benzyl 1-(tert-butoxycarbonyl)prolylalaninate?
The molecular formula of Benzyl 1-(tert-butoxycarbonyl)prolylalaninate is C20H28N2O5.
What is the molecular weight of Benzyl 1-(tert-butoxycarbonyl)prolylalaninate?
The molecular weight of Benzyl 1-(tert-butoxycarbonyl)prolylalaninate is 376.20 g/mol.
Where can I buy Benzyl 1-(tert-butoxycarbonyl)prolylalaninate?
You can request a quote for Benzyl 1-(tert-butoxycarbonyl)prolylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 1-(tert-butoxycarbonyl)prolylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 1-(tert-butoxycarbonyl)prolylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.