1,2-Benzenedicarboxylic acid,4-bromo
TL;DR: 1,2-Benzenedicarboxylic acid,4-bromo (CAS 89070-89-3) is a chemical compound with molecular formula C24H19N3O6S and molecular weight 477.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-[(4-aminophenyl)carbamoyl]benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acid
Also Known As: 1,2-Benzenedicarboxylic acid,4-bromo, 7-[[4-[(4-aminophenyl)carbamoyl]benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acid, 7-({4-[(4-aminophenyl)carbamoyl]benzoyl}amino)-4-hydroxynaphthalene-2-sulfonic acid, 2-Naphthalenesulfonicacid, 7-[[4-[[(4-aminophenyl)amino]carbonyl]benzoyl]amino]-4-hydroxy-, 7-{4-[(4-Aminophenyl)carbamoyl]benzamido}-4-hydroxynaphthalene-2-sulfonic acid
| Molecular Formula | C24H19N3O6S |
|---|---|
| Molecular Weight | 477.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.09946 |
| Heavy Atoms | 34 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 89070-89-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)C(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O |
| InChIKey | BJGRUKRKEJXWKT-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid,4-bromo (CAS 89070-89-3), with molecular formula C24H19N3O6S and molecular weight 477.10 g/mol. IUPAC: 7-[[4-[(4-aminophenyl)carbamoyl]benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid,4-bromo
Property Insights of 1,2-Benzenedicarboxylic acid,4-bromo
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid,4-bromo. The TPSA of 167.0 Ų indicates high polarity, suggesting 1,2-Benzenedicarboxylic acid,4-bromo may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid,4-bromo has 5 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 1,2-Benzenedicarboxylic acid,4-bromo?
The CAS number of 1,2-Benzenedicarboxylic acid,4-bromo is 89070-89-3.
What is the molecular formula of 1,2-Benzenedicarboxylic acid,4-bromo?
The molecular formula of 1,2-Benzenedicarboxylic acid,4-bromo is C24H19N3O6S.
What is the molecular weight of 1,2-Benzenedicarboxylic acid,4-bromo?
The molecular weight of 1,2-Benzenedicarboxylic acid,4-bromo is 477.10 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid,4-bromo?
You can request a quote for 1,2-Benzenedicarboxylic acid,4-bromo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid,4-bromo?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid,4-bromo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.