![Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis- structure](/static/products/944/94413-83-9.png)
Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-
TL;DR: Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis- (CAS 94413-83-9) 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.
3-[[3-[(3-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
Also Known As: Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-, 3-[[3-[(3-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid, N,N'-Isophthaloylbis(3-aminobenzoic acid), 3,3'-(Isophthaloylbis(azanediyl))dibenzoic acid, N,N/'-Isophthaloylbis(3-aminobenzoic acid)
| Molecular Formula | C22H16N2O6 |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.10083 |
| Heavy Atoms | 30 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 94413-83-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)NC3=CC=CC(=C3)C(=O)O |
| InChIKey | IFJMMXLLAWHUJO-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis- (CAS 94413-83-9), with molecular formula C22H16N2O6 and molecular weight 404.10 g/mol. IUPAC: 3-[[3-[(3-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-
Property Insights of Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-. Following Lipinski's Rule of Five, Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis- has 4 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, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-?
The CAS number of Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis- is 94413-83-9.
What is the molecular formula of Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-?
The molecular formula of Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis- is C22H16N2O6.
What is the molecular weight of Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-?
The molecular weight of Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis- is 404.10 g/mol.
Where can I buy Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-?
You can request a quote for Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,3'-[1,3-phenylenebis(carbonylimino)]bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.