Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-
TL;DR: Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- (CAS 25948-33-8) is a chemical compound with molecular formula C11H15ClN2O4S and molecular weight 306.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(butylamino)-4-chloro-5-sulfamoylbenzoic acid
Also Known As: Bumetanide Impurity 12, Bumetanide Impurity 63, 3-(Butylamino)-4-chloro-5-sulfamoylbenzoic acid, BUMETANIDE IMPURITY 31, N-Butyl-4-chloro-5-sulfamylmetanilic acid
| Molecular Formula | C11H15ClN2O4S |
|---|---|
| Molecular Weight | 306.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.0441 |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 25948-33-8 |
|---|---|
| SMILES | CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)Cl |
| InChIKey | CNBZFYQGTRTWSM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- (CAS 25948-33-8), with molecular formula C11H15ClN2O4S and molecular weight 306.04 g/mol. IUPAC: 3-(butylamino)-4-chloro-5-sulfamoylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-
Property Insights of Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- has 3 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, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-?
The CAS number of Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- is 25948-33-8.
What is the molecular formula of Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-?
The molecular formula of Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- is C11H15ClN2O4S.
What is the molecular weight of Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-?
The molecular weight of Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- is 306.04 g/mol.
Where can I buy Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-?
You can request a quote for Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-((phenylmethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.