![Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate structure](/static/products/1688/168899-40-9.webp)
Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate
TL;DR: Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate (CAS 168899-40-9) is a chemical compound with molecular formula C10H13NO4S and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(methanesulfonamido)-2-methylbenzoate
Also Known As: methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate, methyl 3-(methanesulfonamido)-2-methylbenzoate, 2-Methyl-3-[(methylsulfonyl)amino]benzoic acid methyl ester
| Molecular Formula | C10H13NO4S |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 1.15312 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.05653 |
| Heavy Atoms | 16 |
| Complexity | 507.55035 |
Chemical Identifiers
| CAS Number | 168899-40-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1NS(=O)(=O)C)C(=O)OC |
Product Overview
Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate (CAS 168899-40-9), with molecular formula C10H13NO4S and molecular weight 243.06 g/mol. IUPAC: methyl 3-(methanesulfonamido)-2-methylbenzoate.
Chemical Property Profile of Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate
Property Insights of Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate
The XLogP value of 1.15312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate has 1 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 2-methyl-3-[(methylsulfonyl)amino]benzoate?
The CAS number of Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate is 168899-40-9.
What is the molecular formula of Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate?
The molecular formula of Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate is C10H13NO4S.
What is the molecular weight of Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate?
The molecular weight of Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate is 243.06 g/mol.
Where can I buy Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate?
You can request a quote for Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-3-[(methylsulfonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.