5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid
TL;DR: 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid (CAS 35453-19-1) is a chemical compound with molecular formula C8H4I3NO4 and molecular weight 558.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
Also Known As: 5-Amino-2,4,6-triiodoisophthalic acid, Iohexol EP Impurity K, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Iopamidol Impurity 22, 4b9h
| Molecular Formula | C8H4I3NO4 |
|---|---|
| Molecular Weight | 558.73 g/mol |
| LogP | 2.479 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 558.7275 |
| Heavy Atoms | 16 |
| Complexity | 459.54218 |
Chemical Identifiers
| CAS Number | 35453-19-1 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1I)N)I)C(=O)O)I)C(=O)O |
Product Overview
5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid (CAS 35453-19-1), with molecular formula C8H4I3NO4 and molecular weight 558.73 g/mol. IUPAC: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid
Property Insights of 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid
The XLogP value of 2.479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid. Following Lipinski's Rule of Five, 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid?
The CAS number of 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid is 35453-19-1.
What is the molecular formula of 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid?
The molecular formula of 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid is C8H4I3NO4.
What is the molecular weight of 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid?
The molecular weight of 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid is 558.73 g/mol.
Where can I buy 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid?
You can request a quote for 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.