Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester
TL;DR: Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester (CAS 74131-21-8) 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.
propan-2-yl 5-ethoxy-2-sulfamoylbenzoate
Also Known As: propan-2-yl 5-ethoxy-2-sulfamoylbenzoate, Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester, 2-(Aminosulfonyl)-5-ethoxybenzoic acid 1-methylethyl ester, BRN 5066204, RefChem:326791
| Molecular Formula | C12H17NO5S |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.2979 |
| Topological Polar Surface Area | 95.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.08273 |
| Heavy Atoms | 19 |
| Complexity | 565.48254 |
Chemical Identifiers
| CAS Number | 74131-21-8 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)OC(C)C |
Product Overview
Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester (CAS 74131-21-8), with molecular formula C12H17NO5S and molecular weight 287.08 g/mol. IUPAC: propan-2-yl 5-ethoxy-2-sulfamoylbenzoate.
Chemical Property Profile of Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester
Property Insights of Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester
The XLogP value of 1.2979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester. The TPSA of 95.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester 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 Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester?
The CAS number of Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester is 74131-21-8.
What is the molecular formula of Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester is C12H17NO5S.
What is the molecular weight of Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester is 287.08 g/mol.
Where can I buy Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl 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, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(aminosulfonyl)-5-ethoxy-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.