5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid
TL;DR: 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid (CAS 413608-43-2) is a chemical compound with molecular formula C31H21N3O11 and molecular weight 611.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-benzamido-5-[(3,5-dicarboxyphenyl)carbamoyl]benzoyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: 5,5'-((5-benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid, 5-[[3-benzamido-5-[(3,5-dicarboxyphenyl)carbamoyl]benzoyl]amino]benzene-1,3-dicarboxylic Acid, 5,5'-[{5-[(phenylcarbonyl)amino]benzene-1,3-diyl}bis(carbonylimino)]dibenzene-1,3-dicarboxylic acid
| Molecular Formula | C31H21N3O11 |
|---|---|
| Molecular Weight | 611.12 g/mol |
| LogP | 4.2363 |
| Topological Polar Surface Area | 236.5 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 611.1176 |
| Heavy Atoms | 45 |
| Complexity | 1730.2079 |
Chemical Identifiers
| CAS Number | 413608-43-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)C(=O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O |
Product Overview
5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid (CAS 413608-43-2), with molecular formula C31H21N3O11 and molecular weight 611.12 g/mol. IUPAC: 5-[[3-benzamido-5-[(3,5-dicarboxyphenyl)carbamoyl]benzoyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid
Property Insights of 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid
The XLogP value of 4.2363 indicates that 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.5 Ų indicates high polarity, suggesting 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid?
The CAS number of 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid is 413608-43-2.
What is the molecular formula of 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid?
The molecular formula of 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid is C31H21N3O11.
What is the molecular weight of 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid?
The molecular weight of 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid is 611.12 g/mol.
Where can I buy 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid?
You can request a quote for 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-((5-Benzamidoisophthaloyl)bis(azanediyl))diisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.