Iocetamic Acid
TL;DR: Iocetamic Acid (CAS 16034-77-8) is a chemical compound with molecular formula C12H13I3N2O3 and molecular weight 613.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-acetyl-3-amino-2,4,6-triiodoanilino)-2-methylpropanoic acid
Also Known As: IOCETAMIC ACID, Cholebrine, Cholimil, Colebrina, Acido iocetamico
| Molecular Formula | C12H13I3N2O3 |
|---|---|
| Molecular Weight | 613.81 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 613.806 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
| Melting Point | 224-225 °C |
| Solubility | PRACTICALLY INSOL IN WATER; SOMEWHAT SOL IN ETHER, BENZENE; SLIGHTLY SOL IN ACETONE, CHLOROFORM |
Chemical Identifiers
| CAS Number | 16034-77-8 |
|---|---|
| SMILES | CC(CN(C1=C(C=C(C(=C1I)N)I)I)C(=O)C)C(=O)O |
| InChIKey | GSVQIUGOUKJHRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iocetamic Acid (CAS 16034-77-8), with molecular formula C12H13I3N2O3 and molecular weight 613.81 g/mol. IUPAC: 3-(N-acetyl-3-amino-2,4,6-triiodoanilino)-2-methylpropanoic acid.
Chemical Property Profile of Iocetamic Acid
Property Insights of Iocetamic Acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iocetamic Acid. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Iocetamic Acid. Following Lipinski's Rule of Five, Iocetamic Acid has 2 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 Iocetamic Acid?
The CAS number of Iocetamic Acid is 16034-77-8.
What is the molecular formula of Iocetamic Acid?
The molecular formula of Iocetamic Acid is C12H13I3N2O3.
What is the molecular weight of Iocetamic Acid?
The molecular weight of Iocetamic Acid is 613.81 g/mol.
Where can I buy Iocetamic Acid?
You can request a quote for Iocetamic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iocetamic Acid?
Yes, KEHONG BIO provides custom synthesis services for Iocetamic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.