Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester
TL;DR: Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester (CAS 2374-89-2) is a chemical compound with molecular formula C10H12ClNO4S and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-6-sulfamoylbenzoate
Also Known As: Isopropyl 6-chloro-2-sulfamoylbenzoate, propan-2-yl 2-chloro-6-sulfamoylbenzoate, 2-Chloro-6-sulfamoylbenzoic acid isopropyl ester, isopropyl 2-chloro-6-sulfamoylbenzoate, BENZOIC ACID, 2-CHLORO-6-SULFAMOYL-, ISOPROPYL ESTER
| Molecular Formula | C10H12ClNO4S |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.01755 |
| Heavy Atoms | 17 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 2374-89-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC=C1Cl)S(=O)(=O)N |
| InChIKey | UCUUOTCLCHPTTJ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester (CAS 2374-89-2), with molecular formula C10H12ClNO4S and molecular weight 277.02 g/mol. IUPAC: propan-2-yl 2-chloro-6-sulfamoylbenzoate.
Chemical Property Profile of Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester
Property Insights of Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl 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-chloro-6-sulfamoyl-, isopropyl ester?
The CAS number of Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester is 2374-89-2.
What is the molecular formula of Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester?
The molecular formula of Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester is C10H12ClNO4S.
What is the molecular weight of Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester?
The molecular weight of Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester is 277.02 g/mol.
Where can I buy Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester?
You can request a quote for Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl 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-chloro-6-sulfamoyl-, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro-6-sulfamoyl-, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.