Carbobenzyloxy-L-alanyl-L-valine benzyl ester
TL;DR: Carbobenzyloxy-L-alanyl-L-valine benzyl ester (CAS 66880-97-5) 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 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
Also Known As: CARBOBENZYLOXY-L-ALANYL-L-VALINE BENZYL ESTER, benzyl 2-(2-{[(benzyloxy)carbonyl]amino}propanamido)-3-methylbutanoate, Benzyl 3-methyl-2-(2-phenylmethoxycarbonylaminopropanoylamino)butanoate, benzyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate, 668-947-8
| 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 | 66880-97-5 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2 |
Product Overview
Carbobenzyloxy-L-alanyl-L-valine benzyl ester (CAS 66880-97-5), with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol. IUPAC: benzyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate.
Chemical Property Profile of Carbobenzyloxy-L-alanyl-L-valine benzyl ester
Property Insights of Carbobenzyloxy-L-alanyl-L-valine benzyl ester
The XLogP value of 3.1855 indicates that Carbobenzyloxy-L-alanyl-L-valine 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 Carbobenzyloxy-L-alanyl-L-valine benzyl ester. Following Lipinski's Rule of Five, Carbobenzyloxy-L-alanyl-L-valine 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 Carbobenzyloxy-L-alanyl-L-valine benzyl ester?
The CAS number of Carbobenzyloxy-L-alanyl-L-valine benzyl ester is 66880-97-5.
What is the molecular formula of Carbobenzyloxy-L-alanyl-L-valine benzyl ester?
The molecular formula of Carbobenzyloxy-L-alanyl-L-valine benzyl ester is C23H28N2O5.
What is the molecular weight of Carbobenzyloxy-L-alanyl-L-valine benzyl ester?
The molecular weight of Carbobenzyloxy-L-alanyl-L-valine benzyl ester is 412.20 g/mol.
Where can I buy Carbobenzyloxy-L-alanyl-L-valine benzyl ester?
You can request a quote for Carbobenzyloxy-L-alanyl-L-valine benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbobenzyloxy-L-alanyl-L-valine benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbobenzyloxy-L-alanyl-L-valine benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.