Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester
TL;DR: Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester (CAS 30593-20-5) 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.
benzyl 3-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoate
Also Known As: CARBOBENZYLOXY-BETA-ALANYL-BETA-ALANINE BENZYL ESTER, Benzyl 3-(3-phenylmethoxycarbonylaminopropanoylamino)propanoate, benzyl 3-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoate, 636-558-2, RefChem:574178
| Molecular Formula | C21H24N2O5 |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 2.5526 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 384.16852 |
| Heavy Atoms | 28 |
| Complexity | 686.40594 |
Chemical Identifiers
| CAS Number | 30593-20-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCNC(=O)CCNC(=O)OCC2=CC=CC=C2 |
Product Overview
Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester (CAS 30593-20-5), with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol. IUPAC: benzyl 3-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoate.
Chemical Property Profile of Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester
Property Insights of Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester
The XLogP value of 2.5526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester. Following Lipinski's Rule of Five, Carbobenzyloxy-beta-alanyl-beta-alanine 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-beta-alanyl-beta-alanine benzyl ester?
The CAS number of Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester is 30593-20-5.
What is the molecular formula of Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester?
The molecular formula of Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester is C21H24N2O5.
What is the molecular weight of Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester?
The molecular weight of Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester is 384.17 g/mol.
Where can I buy Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester?
You can request a quote for Carbobenzyloxy-beta-alanyl-beta-alanine 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-beta-alanyl-beta-alanine benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbobenzyloxy-beta-alanyl-beta-alanine benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.