4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid
TL;DR: 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid (CAS 111159-61-6) is a chemical compound with molecular formula C22H16N2O6 and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
Also Known As: 4,4'-(isophthaloylbis(azanediyl))dibenzoic acid, AE-848/34541062, A0234/0010579, 4,4'-[benzene-1,3-diylbis(carbonylimino)]dibenzoic acid, 4-({3-[(4-carboxyanilino)carbonyl]benzoyl}amino)benzoic acid
| Molecular Formula | C22H16N2O6 |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 3.5876 |
| Topological Polar Surface Area | 132.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.10083 |
| Heavy Atoms | 30 |
| Complexity | 1034.3745 |
Chemical Identifiers
| CAS Number | 111159-61-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid (CAS 111159-61-6), with molecular formula C22H16N2O6 and molecular weight 404.10 g/mol. IUPAC: 4-[[3-[(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid.
Chemical Property Profile of 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid
Property Insights of 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid
The XLogP value of 3.5876 indicates that 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid. Following Lipinski's Rule of Five, 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid has 4 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 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid?
The CAS number of 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid is 111159-61-6.
What is the molecular formula of 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid?
The molecular formula of 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid is C22H16N2O6.
What is the molecular weight of 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid?
The molecular weight of 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid is 404.10 g/mol.
Where can I buy 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid?
You can request a quote for 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.