Iosumetic Acid
TL;DR: Iosumetic Acid (CAS 37863-70-0) is a chemical compound with molecular formula C13H15I3N2O3 and molecular weight 627.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[N-ethyl-2,4,6-triiodo-3-(methylamino)anilino]-4-oxobutanoic acid
Also Known As: Iosumetic acid, Acido iosumetico, Acide iosumetique, Iosumeticacid, Acidum iosumeticum
| Molecular Formula | C13H15I3N2O3 |
|---|---|
| Molecular Weight | 627.82 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 627.8217 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 37863-70-0 |
|---|---|
| SMILES | CCN(C1=C(C=C(C(=C1I)NC)I)I)C(=O)CCC(=O)O |
| InChIKey | IGSPYLOKMDUVEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iosumetic Acid (CAS 37863-70-0), with molecular formula C13H15I3N2O3 and molecular weight 627.82 g/mol. IUPAC: 4-[N-ethyl-2,4,6-triiodo-3-(methylamino)anilino]-4-oxobutanoic acid.
Chemical Property Profile of Iosumetic Acid
Property Insights of Iosumetic Acid
The XLogP value of 3.0 indicates that Iosumetic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Iosumetic Acid. Following Lipinski's Rule of Five, Iosumetic 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 Iosumetic Acid?
The CAS number of Iosumetic Acid is 37863-70-0.
What is the molecular formula of Iosumetic Acid?
The molecular formula of Iosumetic Acid is C13H15I3N2O3.
What is the molecular weight of Iosumetic Acid?
The molecular weight of Iosumetic Acid is 627.82 g/mol.
Where can I buy Iosumetic Acid?
You can request a quote for Iosumetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iosumetic Acid?
Yes, KEHONG BIO provides custom synthesis services for Iosumetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.