4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid
TL;DR: 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid (CAS 333412-30-9) is a chemical compound with molecular formula C15H23ClN2O4S and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(2-methylpropylamino)-5-(2-methylpropylsulfamoyl)benzoic acid
Also Known As: 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid, 4-chloro-2-(isobutylamino)-5-[(isobutylamino)sulfonyl]benzoic acid, 4-chloro-2-(2-methylpropylamino)-5-(2-methylpropylsulfamoyl)benzoic acid, 4-chloro-2-[(2-methylpropyl)amino]-5-[(2-methylpropyl)sulfamoyl]benzoic acid
| Molecular Formula | C15H23ClN2O4S |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 3.0404 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.10672 |
| Heavy Atoms | 23 |
| Complexity | 672.2996 |
Chemical Identifiers
| CAS Number | 333412-30-9 |
|---|---|
| SMILES | CC(C)CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC(C)C)Cl |
Product Overview
4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid (CAS 333412-30-9), with molecular formula C15H23ClN2O4S and molecular weight 362.11 g/mol. IUPAC: 4-chloro-2-(2-methylpropylamino)-5-(2-methylpropylsulfamoyl)benzoic acid.
Chemical Property Profile of 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid
Property Insights of 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid
The XLogP value of 3.0404 indicates that 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid. Following Lipinski's Rule of Five, 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid has 3 hydrogen bond donor(s) and 4 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-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid?
The CAS number of 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid is 333412-30-9.
What is the molecular formula of 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid?
The molecular formula of 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid is C15H23ClN2O4S.
What is the molecular weight of 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid?
The molecular weight of 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid is 362.11 g/mol.
Where can I buy 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid?
You can request a quote for 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)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-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-(isobutylamino)-5-(N-isobutylsulfamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.