Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro-
TL;DR: Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro- (CAS 72020-11-2) is a chemical compound with molecular formula C15H13ClN2O6S and molecular weight 384.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid
Also Known As: 3-(Aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitrobenzoic acid, 4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid, BENZOIC ACID, 3-(AMINOSULFONYL)-4-(2-(4-CHLOROPHENYL)ETHYL)-5-NITRO-, RefChem:327150
| Molecular Formula | C15H13ClN2O6S |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.01828 |
| Heavy Atoms | 25 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 72020-11-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])Cl |
| InChIKey | GKWAOCARIKELOU-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro- (CAS 72020-11-2), with molecular formula C15H13ClN2O6S and molecular weight 384.02 g/mol. IUPAC: 4-[2-(4-chlorophenyl)ethyl]-3-nitro-5-sulfamoylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro-
Property Insights of Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro-. The TPSA of 152.0 Ų indicates high polarity, suggesting Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro- has 2 hydrogen bond donor(s) and 7 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-(2-(4-chlorophenyl)ethyl)-5-nitro-?
The CAS number of Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro- is 72020-11-2.
What is the molecular formula of Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro-?
The molecular formula of Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro- is C15H13ClN2O6S.
What is the molecular weight of Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro-?
The molecular weight of Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro- is 384.02 g/mol.
Where can I buy Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro-?
You can request a quote for Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro- 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-(2-(4-chlorophenyl)ethyl)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(aminosulfonyl)-4-(2-(4-chlorophenyl)ethyl)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.