carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester
TL;DR: carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester (CAS 100231-99-0) is a chemical compound with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoate
Also Known As: carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester, methyl 2-(3-{[(benzyloxy)carbonyl]amino}propanamido)-3-phenylpropanoate, Methyl 3-phenyl-2-(3-phenylmethoxycarbonylaminopropanoylamino)propanoate, methyl 3-phenyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoate, methyl (2S)-2-[(3-{[(benzyloxy)carbonyl]amino}propanoyl)amino]-3-phenylpropanoate
| Molecular Formula | C21H24N2O5 |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 2.2034 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.16852 |
| Heavy Atoms | 28 |
| Complexity | 764.8801 |
Chemical Identifiers
| CAS Number | 100231-99-0 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)CCNC(=O)OCC2=CC=CC=C2 |
Product Overview
carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester (CAS 100231-99-0), with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol. IUPAC: methyl 3-phenyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoate.
Chemical Property Profile of carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester
Property Insights of carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester
The XLogP value of 2.2034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester. Following Lipinski's Rule of Five, carbobenzyloxy-beta-alanyl-l-phenylalanine methyl 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-beta-alanyl-l-phenylalanine methyl ester?
The CAS number of carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester is 100231-99-0.
What is the molecular formula of carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester?
The molecular formula of carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester is C21H24N2O5.
What is the molecular weight of carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester?
The molecular weight of carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester is 384.17 g/mol.
Where can I buy carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester?
You can request a quote for carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for carbobenzyloxy-beta-alanyl-l-phenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.