methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate
TL;DR: methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate (CAS 461448-58-8) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-ethyl-N-methylsulfonylanilino)acetate
Also Known As: methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate, methyl 2-(4-ethyl-N-methylsulfonylanilino)acetate, methylN-(4-ethylphenyl)-N-(methylsulfonyl)glycinate, glycine, N-(4-ethylphenyl)-N-(methylsulfonyl)-, methyl ester, METHYL 2-[N-(4-ETHYLPHENYL)METHANESULFONAMIDO]ACETATE
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.188 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 507.38388 |
Chemical Identifiers
| CAS Number | 461448-58-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N(CC(=O)OC)S(=O)(=O)C |
Product Overview
methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate (CAS 461448-58-8), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: methyl 2-(4-ethyl-N-methylsulfonylanilino)acetate.
Chemical Property Profile of methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate
Property Insights of methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate
The XLogP value of 1.188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate. Following Lipinski's Rule of Five, methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate has 0 hydrogen bond donor(s) and 4 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 methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate?
The CAS number of methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate is 461448-58-8.
What is the molecular formula of methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate?
The molecular formula of methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate is C12H17NO4S.
What is the molecular weight of methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate?
The molecular weight of methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate is 271.09 g/mol.
Where can I buy methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate?
You can request a quote for methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(4-ethylphenyl)-N-(methylsulfonyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.