methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate
TL;DR: methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate (CAS 425618-72-0) is a chemical compound with molecular formula C11H14ClNO5S and molecular weight 307.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetate
Also Known As: methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate, BAS 02122924, methyl 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetate, methyl [3-chloro-4-methoxy(methylsulfonyl)anilino]acetate, glycine, N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)-, methyl ester
| Molecular Formula | C11H14ClNO5S |
|---|---|
| Molecular Weight | 307.03 g/mol |
| LogP | 1.2876 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.0281 |
| Heavy Atoms | 19 |
| Complexity | 572.4483 |
Chemical Identifiers
| CAS Number | 425618-72-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N(CC(=O)OC)S(=O)(=O)C)Cl |
Product Overview
methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate (CAS 425618-72-0), with molecular formula C11H14ClNO5S and molecular weight 307.03 g/mol. IUPAC: methyl 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetate.
Chemical Property Profile of methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate
Property Insights of methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate
The XLogP value of 1.2876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate. Following Lipinski's Rule of Five, methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate has 0 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 methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate?
The CAS number of methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate is 425618-72-0.
What is the molecular formula of methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate?
The molecular formula of methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate is C11H14ClNO5S.
What is the molecular weight of methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate?
The molecular weight of methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate is 307.03 g/mol.
Where can I buy methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate?
You can request a quote for methyl N-(3-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(3-chloro-4-methoxyphenyl)-N-(methylsulfonyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.