beta-alanine,n-(((( -n-,ethylester
TL;DR: beta-alanine,n-(((( -n-,ethylester (CAS 82560-64-3) is a chemical compound with molecular formula C21H32N2O5S and molecular weight 424.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methylpropyl)amino]propanoate
Also Known As: beta-alanine,n-(((( -n-,ethylester, beta-Alanine,N-(((( -N- -,ethylester, ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methylpropyl)amino]propanoate, beta-Alanine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(2-methylpropyl)-, ethyl ester, Ethyl N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-N-(2-methylpropyl)-beta-alaninate
| Molecular Formula | C21H32N2O5S |
|---|---|
| Molecular Weight | 424.20 g/mol |
| LogP | 4.3051 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.2032 |
| Heavy Atoms | 29 |
| Complexity | 723.0231 |
Chemical Identifiers
| CAS Number | 82560-64-3 |
|---|---|
| SMILES | CCOC(=O)CCN(CC(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
Product Overview
beta-alanine,n-(((( -n-,ethylester (CAS 82560-64-3), with molecular formula C21H32N2O5S and molecular weight 424.20 g/mol. IUPAC: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methylpropyl)amino]propanoate.
Chemical Property Profile of beta-alanine,n-(((( -n-,ethylester
Property Insights of beta-alanine,n-(((( -n-,ethylester
The XLogP value of 4.3051 indicates that beta-alanine,n-(((( -n-,ethylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-alanine,n-(((( -n-,ethylester. Following Lipinski's Rule of Five, beta-alanine,n-(((( -n-,ethylester has 0 hydrogen bond donor(s) and 7 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 beta-alanine,n-(((( -n-,ethylester?
The CAS number of beta-alanine,n-(((( -n-,ethylester is 82560-64-3.
What is the molecular formula of beta-alanine,n-(((( -n-,ethylester?
The molecular formula of beta-alanine,n-(((( -n-,ethylester is C21H32N2O5S.
What is the molecular weight of beta-alanine,n-(((( -n-,ethylester?
The molecular weight of beta-alanine,n-(((( -n-,ethylester is 424.20 g/mol.
Where can I buy beta-alanine,n-(((( -n-,ethylester?
You can request a quote for beta-alanine,n-(((( -n-,ethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-alanine,n-(((( -n-,ethylester?
Yes, KEHONG BIO provides custom synthesis services for beta-alanine,n-(((( -n-,ethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.