4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
TL;DR: 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid (CAS 519168-53-7) is a chemical compound with molecular formula C13H17ClN2O5S and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid
Also Known As: ChemDiv2_001536, BAS 08301386, 4-chloro-5-(N,N-dimethylsulfamoyl)-2-morpholinobenzoic acid, 4-chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid, 4-Chloro-5-dimethylsulfamoyl-2-morpholin-4-yl-benzoic acid
| Molecular Formula | C13H17ClN2O5S |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 1.1251 |
| Topological Polar Surface Area | 87.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.05466 |
| Heavy Atoms | 22 |
| Complexity | 683.916 |
Chemical Identifiers
| CAS Number | 519168-53-7 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)N2CCOCC2)Cl |
Product Overview
4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid (CAS 519168-53-7), with molecular formula C13H17ClN2O5S and molecular weight 348.05 g/mol. IUPAC: 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoic acid.
Chemical Property Profile of 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
Property Insights of 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
The XLogP value of 1.1251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid. The TPSA of 87.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid 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 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid?
The CAS number of 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid is 519168-53-7.
What is the molecular formula of 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid?
The molecular formula of 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid is C13H17ClN2O5S.
What is the molecular weight of 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid?
The molecular weight of 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid is 348.05 g/mol.
Where can I buy 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid?
You can request a quote for 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-5-(dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.