Methyl 3-(methylsulfamoyl)benzoate
TL;DR: Methyl 3-(methylsulfamoyl)benzoate (CAS 1094752-93-8) is a chemical compound with molecular formula C9H11NO4S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(methylsulfamoyl)benzoate
Also Known As: methyl 3-(methylsulfamoyl)benzoate, methyl 3-(N-methylsulfamoyl)benzoate
| Molecular Formula | C9H11NO4S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 0.3813 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.04088 |
| Heavy Atoms | 15 |
| Complexity | 466.7556 |
Chemical Identifiers
| CAS Number | 1094752-93-8 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC |
Product Overview
Methyl 3-(methylsulfamoyl)benzoate (CAS 1094752-93-8), with molecular formula C9H11NO4S and molecular weight 229.04 g/mol. IUPAC: methyl 3-(methylsulfamoyl)benzoate.
Chemical Property Profile of Methyl 3-(methylsulfamoyl)benzoate
Property Insights of Methyl 3-(methylsulfamoyl)benzoate
The XLogP value of 0.3813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(methylsulfamoyl)benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(methylsulfamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-(methylsulfamoyl)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 3-(methylsulfamoyl)benzoate?
The CAS number of Methyl 3-(methylsulfamoyl)benzoate is 1094752-93-8.
What is the molecular formula of Methyl 3-(methylsulfamoyl)benzoate?
The molecular formula of Methyl 3-(methylsulfamoyl)benzoate is C9H11NO4S.
What is the molecular weight of Methyl 3-(methylsulfamoyl)benzoate?
The molecular weight of Methyl 3-(methylsulfamoyl)benzoate is 229.04 g/mol.
Where can I buy Methyl 3-(methylsulfamoyl)benzoate?
You can request a quote for Methyl 3-(methylsulfamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(methylsulfamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(methylsulfamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.