Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate
TL;DR: Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate (CAS 591744-31-9) 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-(3,5-dimethyl-N-methylsulfonylanilino)acetate
Also Known As: Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate, methyl 2-(3,5-dimethyl-N-methylsulfonylanilino)acetate, methyl 2-(3,5-dimethyl-N-methylsulfonyl-anilino)acetate, glycine, N-(3,5-dimethylphenyl)-N-(methylsulfonyl)-, methyl ester, METHYL 2-[N-(3,5-DIMETHYLPHENYL)METHANESULFONAMIDO]ACETATE
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.24244 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 530.94586 |
Chemical Identifiers
| CAS Number | 591744-31-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N(CC(=O)OC)S(=O)(=O)C)C |
Product Overview
Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate (CAS 591744-31-9), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: methyl 2-(3,5-dimethyl-N-methylsulfonylanilino)acetate.
Chemical Property Profile of Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate
Property Insights of Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate
The XLogP value of 1.24244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate. Following Lipinski's Rule of Five, Methyl N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate?
The CAS number of Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate is 591744-31-9.
What is the molecular formula of Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate?
The molecular formula of Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate is C12H17NO4S.
What is the molecular weight of Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate?
The molecular weight of Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate is 271.09 g/mol.
Where can I buy Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate?
You can request a quote for Methyl N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.