Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate
TL;DR: Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate (CAS 95473-30-6) is a chemical compound with molecular formula C9H10N2O5S and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(carbamoylsulfamoyl)benzoate
Also Known As: Methyl 2-(carbamoylsulfamoyl)benzoate, metsulfuron-methyl TP3, starbld0031315, Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate, Metsulfuron-methyl metabolite
| Molecular Formula | C9H10N2O5S |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.03104 |
| Heavy Atoms | 17 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 95473-30-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N |
| InChIKey | SRCPGSKDFKGYHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate (CAS 95473-30-6), with molecular formula C9H10N2O5S and molecular weight 258.03 g/mol. IUPAC: methyl 2-(carbamoylsulfamoyl)benzoate.
Chemical Property Profile of Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate
Property Insights of Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate
The XLogP value of -0.1 indicates that Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate. Following Lipinski's Rule of Five, Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate has 2 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 2-(((aminocarbonyl)amino)sulfonyl)benzoate?
The CAS number of Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate is 95473-30-6.
What is the molecular formula of Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate?
The molecular formula of Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate is C9H10N2O5S.
What is the molecular weight of Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate?
The molecular weight of Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate is 258.03 g/mol.
Where can I buy Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate?
You can request a quote for Methyl 2-(((aminocarbonyl)amino)sulfonyl)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-(((aminocarbonyl)amino)sulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(((aminocarbonyl)amino)sulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.