Ethyl 3-sulfamoylbenzoate
TL;DR: Ethyl 3-sulfamoylbenzoate (CAS 59777-68-3) 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.
ethyl 3-sulfamoylbenzoate
Also Known As: ethyl 3-sulfamoylbenzoate, ethyl3-sulfamoylbenzoate, ethyl 2-sulfamoylbenzoate, ethyl 3-(aminosulfonyl)benzoate, Benzoic acid, 2-(aminosulfonyl)-, ethyl ester
| Molecular Formula | C9H11NO4S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.04088 |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 59777-68-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N |
| InChIKey | BKFKPPZXMYZMDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-sulfamoylbenzoate (CAS 59777-68-3), with molecular formula C9H11NO4S and molecular weight 229.04 g/mol. IUPAC: ethyl 3-sulfamoylbenzoate.
Chemical Property Profile of Ethyl 3-sulfamoylbenzoate
Property Insights of Ethyl 3-sulfamoylbenzoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-sulfamoylbenzoate. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-sulfamoylbenzoate. Following Lipinski's Rule of Five, Ethyl 3-sulfamoylbenzoate has 1 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 Ethyl 3-sulfamoylbenzoate?
The CAS number of Ethyl 3-sulfamoylbenzoate is 59777-68-3.
What is the molecular formula of Ethyl 3-sulfamoylbenzoate?
The molecular formula of Ethyl 3-sulfamoylbenzoate is C9H11NO4S.
What is the molecular weight of Ethyl 3-sulfamoylbenzoate?
The molecular weight of Ethyl 3-sulfamoylbenzoate is 229.04 g/mol.
Where can I buy Ethyl 3-sulfamoylbenzoate?
You can request a quote for Ethyl 3-sulfamoylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-sulfamoylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-sulfamoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.