Carbobenzoxy-beta-alanyltaurine
TL;DR: Carbobenzoxy-beta-alanyltaurine (CAS 53329-43-4) is a chemical compound with molecular formula C13H18N2O6S and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethanesulfonic acid
Also Known As: Taurox SB, COBAT, Carbobenzoxy-beta-alanyltaurine, n-carbobenzoxy-beta-alanyl-taurine, CARBOBENZOXY-.BETA.-ALANYLTAURINE
| Molecular Formula | C13H18N2O6S |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 0.3069 |
| Topological Polar Surface Area | 121.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.08856 |
| Heavy Atoms | 22 |
| Complexity | 587.8077 |
Chemical Identifiers
| CAS Number | 53329-43-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCC(=O)NCCS(=O)(=O)O |
Product Overview
Carbobenzoxy-beta-alanyltaurine (CAS 53329-43-4), with molecular formula C13H18N2O6S and molecular weight 330.09 g/mol. IUPAC: 2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethanesulfonic acid.
Chemical Property Profile of Carbobenzoxy-beta-alanyltaurine
Property Insights of Carbobenzoxy-beta-alanyltaurine
The XLogP value of 0.3069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbobenzoxy-beta-alanyltaurine. The TPSA of 121.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbobenzoxy-beta-alanyltaurine. Following Lipinski's Rule of Five, Carbobenzoxy-beta-alanyltaurine has 3 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 Carbobenzoxy-beta-alanyltaurine?
The CAS number of Carbobenzoxy-beta-alanyltaurine is 53329-43-4.
What is the molecular formula of Carbobenzoxy-beta-alanyltaurine?
The molecular formula of Carbobenzoxy-beta-alanyltaurine is C13H18N2O6S.
What is the molecular weight of Carbobenzoxy-beta-alanyltaurine?
The molecular weight of Carbobenzoxy-beta-alanyltaurine is 330.09 g/mol.
Where can I buy Carbobenzoxy-beta-alanyltaurine?
You can request a quote for Carbobenzoxy-beta-alanyltaurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbobenzoxy-beta-alanyltaurine?
Yes, KEHONG BIO provides custom synthesis services for Carbobenzoxy-beta-alanyltaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.