5-Cyano-2,4,6-triiodoisophthalic acid
TL;DR: 5-Cyano-2,4,6-triiodoisophthalic acid (CAS 73511-89-4) is a chemical compound with molecular formula C9H2I3NO4 and molecular weight 568.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-2,4,6-triiodobenzene-1,3-dicarboxylic acid
Also Known As: 5-Cyano-2,4,6-triiodoisophthalic acid, EINECS 277-514-9, 5-Cyano-2,4,6-triiodoisophthalicacid, 5-cyano-2,4,6-triiodobenzene-1,3-dicarboxylic acid, 1,3-Benzenedicarboxylicacid, 5-cyano-2,4,6-triiodo-
| Molecular Formula | C9H2I3NO4 |
|---|---|
| Molecular Weight | 568.71 g/mol |
| LogP | 2.76848 |
| Topological Polar Surface Area | 98.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 568.7118 |
| Heavy Atoms | 17 |
| Complexity | 535.5793 |
Chemical Identifiers
| CAS Number | 73511-89-4 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I |
Product Overview
5-Cyano-2,4,6-triiodoisophthalic acid (CAS 73511-89-4), with molecular formula C9H2I3NO4 and molecular weight 568.71 g/mol. IUPAC: 5-cyano-2,4,6-triiodobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-Cyano-2,4,6-triiodoisophthalic acid
Property Insights of 5-Cyano-2,4,6-triiodoisophthalic acid
The XLogP value of 2.76848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyano-2,4,6-triiodoisophthalic acid. The TPSA of 98.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyano-2,4,6-triiodoisophthalic acid. Following Lipinski's Rule of Five, 5-Cyano-2,4,6-triiodoisophthalic acid has 2 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-Cyano-2,4,6-triiodoisophthalic acid?
The CAS number of 5-Cyano-2,4,6-triiodoisophthalic acid is 73511-89-4.
What is the molecular formula of 5-Cyano-2,4,6-triiodoisophthalic acid?
The molecular formula of 5-Cyano-2,4,6-triiodoisophthalic acid is C9H2I3NO4.
What is the molecular weight of 5-Cyano-2,4,6-triiodoisophthalic acid?
The molecular weight of 5-Cyano-2,4,6-triiodoisophthalic acid is 568.71 g/mol.
Where can I buy 5-Cyano-2,4,6-triiodoisophthalic acid?
You can request a quote for 5-Cyano-2,4,6-triiodoisophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-2,4,6-triiodoisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-2,4,6-triiodoisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.