Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester
TL;DR: Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester (CAS 74131-17-2) is a chemical compound with molecular formula C12H17NO5S and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 5-methoxy-2-sulfamoylbenzoate
Also Known As: Butyl 5-methoxy-2-sulfamoylbenzoate, BENZOIC ACID, 5-METHOXY-2-SULFAMOYL-, BUTYL ESTER, 5-Methoxy-2-sulfamoylbenzoic acid butyl ester, BRN 5066205, RefChem:327692
| Molecular Formula | C12H17NO5S |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.08273 |
| Heavy Atoms | 19 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 74131-17-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=CC(=C1)OC)S(=O)(=O)N |
| InChIKey | FHRKYAJBESJSOM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester (CAS 74131-17-2), with molecular formula C12H17NO5S and molecular weight 287.08 g/mol. IUPAC: butyl 5-methoxy-2-sulfamoylbenzoate.
Chemical Property Profile of Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester
Property Insights of Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester. Following Lipinski's Rule of Five, Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester has 1 hydrogen bond donor(s) and 6 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 Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester?
The CAS number of Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester is 74131-17-2.
What is the molecular formula of Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester?
The molecular formula of Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester is C12H17NO5S.
What is the molecular weight of Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester?
The molecular weight of Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester is 287.08 g/mol.
Where can I buy Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester?
You can request a quote for Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-methoxy-2-sulfamoyl-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.