5-(Carbamoyl)-2,4,6-triiodoisophthalic acid
TL;DR: 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid (CAS 79211-46-4) is a chemical compound with molecular formula C9H4I3NO5 and molecular weight 586.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-carbamoyl-2,4,6-triiodobenzene-1,3-dicarboxylic acid
Also Known As: 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid, EINECS 279-113-4, 5-carbamoyl-2,4,6-triiodoisophthalic acid, 5-carbamoyl- 2,4,6-triiodoisophthalic acid, 5-carbamoyl-2,4,6-triiodobenzene-1,3-dicarboxylic acid
| Molecular Formula | C9H4I3NO5 |
|---|---|
| Molecular Weight | 586.72 g/mol |
| LogP | 1.9957 |
| Topological Polar Surface Area | 117.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 586.7224 |
| Heavy Atoms | 18 |
| Complexity | 482.02942 |
Chemical Identifiers
| CAS Number | 79211-46-4 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I)C(=O)N |
Product Overview
5-(Carbamoyl)-2,4,6-triiodoisophthalic acid (CAS 79211-46-4), with molecular formula C9H4I3NO5 and molecular weight 586.72 g/mol. IUPAC: 5-carbamoyl-2,4,6-triiodobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid
Property Insights of 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid
The XLogP value of 1.9957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid. The TPSA of 117.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid. Following Lipinski's Rule of Five, 5-(Carbamoyl)-2,4,6-triiodoisophthalic 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-(Carbamoyl)-2,4,6-triiodoisophthalic acid?
The CAS number of 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid is 79211-46-4.
What is the molecular formula of 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid?
The molecular formula of 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid is C9H4I3NO5.
What is the molecular weight of 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid?
The molecular weight of 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid is 586.72 g/mol.
Where can I buy 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid?
You can request a quote for 5-(Carbamoyl)-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-(Carbamoyl)-2,4,6-triiodoisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Carbamoyl)-2,4,6-triiodoisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.