2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid
TL;DR: 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid (CAS 85-16-5) is a chemical compound with molecular formula C13H13I3N2O4 and molecular weight 641.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-triiodo-3,5-bis(propanoylamino)benzoic acid
Also Known As: Diprotrizoic acid, Miokon acid, Diprocon, Diprotrizoate, Diprotizoic acid
| Molecular Formula | C13H13I3N2O4 |
|---|---|
| Molecular Weight | 641.80 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 641.8009 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 85-16-5 |
|---|---|
| SMILES | CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CC)I |
| InChIKey | OIXRDAZPDINJPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid (CAS 85-16-5), with molecular formula C13H13I3N2O4 and molecular weight 641.80 g/mol. IUPAC: 2,4,6-triiodo-3,5-bis(propanoylamino)benzoic acid.
Chemical Property Profile of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid
Property Insights of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid. Following Lipinski's Rule of Five, 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
The CAS number of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid is 85-16-5.
What is the molecular formula of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
The molecular formula of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid is C13H13I3N2O4.
What is the molecular weight of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
The molecular weight of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid is 641.80 g/mol.
Where can I buy 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
You can request a quote for 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.