Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester
TL;DR: Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester (CAS 74131-19-4) is a chemical compound with molecular formula C13H19NO5S and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(dimethylsulfamoyl)-5-methoxybenzoate
Also Known As: Isopropyl 5-methoxy-2-(dimethylsulfamoyl)benzoate, BENZOIC ACID, 2-(DIMETHYLSULFAMOYL)-5-METHOXY-, ISOPROPYL ESTER, propan-2-yl 2-(dimethylsulfamoyl)-5-methoxybenzoate, 2-(N,N-Dimethylsulfamoyl)-5-methoxybenzoic acid isopropyl ester, BRN 5081441
| Molecular Formula | C13H19NO5S |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.0984 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 74131-19-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)OC)S(=O)(=O)N(C)C |
| InChIKey | LMGFDHCJAWVYOC-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester (CAS 74131-19-4), with molecular formula C13H19NO5S and molecular weight 301.10 g/mol. IUPAC: propan-2-yl 2-(dimethylsulfamoyl)-5-methoxybenzoate.
Chemical Property Profile of Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester
Property Insights of Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester has 0 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, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester?
The CAS number of Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester is 74131-19-4.
What is the molecular formula of Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester?
The molecular formula of Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester is C13H19NO5S.
What is the molecular weight of Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester?
The molecular weight of Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester is 301.10 g/mol.
Where can I buy Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester?
You can request a quote for Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, 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-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(dimethylsulfamoyl)-5-methoxy-, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.