3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid
TL;DR: 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid (CAS 28328-53-2) is a chemical compound with molecular formula C13H10N2O7S and molecular weight 338.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-phenoxy-5-sulfamoylbenzoic acid
Also Known As: 3-Nitro-4-phenoxy-5-sulfamoylbenzoic acid, 4-Chlorobenzoicacid, Bumetanide EP Impurity A, Bumetanide impurity A CRS, 3-Nitro-4-phenoxy-5-sulphamoylbenzoic acid
| Molecular Formula | C13H10N2O7S |
|---|---|
| Molecular Weight | 338.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.02087 |
| Heavy Atoms | 23 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 28328-53-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-] |
| InChIKey | NXJUSSNAIUIVKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid (CAS 28328-53-2), with molecular formula C13H10N2O7S and molecular weight 338.02 g/mol. IUPAC: 3-nitro-4-phenoxy-5-sulfamoylbenzoic acid.
Chemical Property Profile of 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid
Property Insights of 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid. The TPSA of 161.0 Ų indicates high polarity, suggesting 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid has 2 hydrogen bond donor(s) and 8 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 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid?
The CAS number of 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid is 28328-53-2.
What is the molecular formula of 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid?
The molecular formula of 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid is C13H10N2O7S.
What is the molecular weight of 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid?
The molecular weight of 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid is 338.02 g/mol.
Where can I buy 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid?
You can request a quote for 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.