Carbobenzyloxyvalylalanine benzyl ester
TL;DR: Carbobenzyloxyvalylalanine benzyl ester (CAS 118234-89-2) is a chemical compound with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
Also Known As: CARBOBENZYLOXYVALYLALANINE BENZYL ESTER, benzyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido)propanoate, Benzyl 2-[(3-methyl-2-phenylmethoxycarbonylamino-butanoyl)amino]propanoate, benzyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate, 667-951-7
| Molecular Formula | C23H28N2O5 |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 3.1855 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.19983 |
| Heavy Atoms | 30 |
| Complexity | 824.00183 |
Chemical Identifiers
| CAS Number | 118234-89-2 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(C)C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
Product Overview
Carbobenzyloxyvalylalanine benzyl ester (CAS 118234-89-2), with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol. IUPAC: benzyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate.
Chemical Property Profile of Carbobenzyloxyvalylalanine benzyl ester
Property Insights of Carbobenzyloxyvalylalanine benzyl ester
The XLogP value of 3.1855 indicates that Carbobenzyloxyvalylalanine benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbobenzyloxyvalylalanine benzyl ester. Following Lipinski's Rule of Five, Carbobenzyloxyvalylalanine benzyl ester has 2 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 Carbobenzyloxyvalylalanine benzyl ester?
The CAS number of Carbobenzyloxyvalylalanine benzyl ester is 118234-89-2.
What is the molecular formula of Carbobenzyloxyvalylalanine benzyl ester?
The molecular formula of Carbobenzyloxyvalylalanine benzyl ester is C23H28N2O5.
What is the molecular weight of Carbobenzyloxyvalylalanine benzyl ester?
The molecular weight of Carbobenzyloxyvalylalanine benzyl ester is 412.20 g/mol.
Where can I buy Carbobenzyloxyvalylalanine benzyl ester?
You can request a quote for Carbobenzyloxyvalylalanine benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbobenzyloxyvalylalanine benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbobenzyloxyvalylalanine benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.