7-Iodoacetamidocoumarin-4-carboxylic acid
TL;DR: 7-Iodoacetamidocoumarin-4-carboxylic acid (CAS 284679-24-9) is a chemical compound with molecular formula C12H8INO5 and molecular weight 372.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-iodoacetyl)amino]-2-oxochromene-4-carboxylic acid
Also Known As: I-Cca, 7-IODOACETAMIDOCOUMARIN-4-CARBOXYLIC ACID, 7-[(2-iodoacetyl)amino]-2-oxochromene-4-carboxylic acid, 7-(2-Iodoacetamido)-2-oxo-2H-chromene-4-carboxylic acid, 7-[(2-iodoacetyl)amino]-2-oxo-chromene-4-carboxylic Acid
| Molecular Formula | C12H8INO5 |
|---|---|
| Molecular Weight | 372.94 g/mol |
| LogP | 1.8647 |
| Topological Polar Surface Area | 96.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.94473 |
| Heavy Atoms | 19 |
| Complexity | 721.62177 |
Chemical Identifiers
| CAS Number | 284679-24-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1NC(=O)CI)OC(=O)C=C2C(=O)O |
Product Overview
7-Iodoacetamidocoumarin-4-carboxylic acid (CAS 284679-24-9), with molecular formula C12H8INO5 and molecular weight 372.94 g/mol. IUPAC: 7-[(2-iodoacetyl)amino]-2-oxochromene-4-carboxylic acid.
Chemical Property Profile of 7-Iodoacetamidocoumarin-4-carboxylic acid
Property Insights of 7-Iodoacetamidocoumarin-4-carboxylic acid
The XLogP value of 1.8647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Iodoacetamidocoumarin-4-carboxylic acid. The TPSA of 96.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Iodoacetamidocoumarin-4-carboxylic acid. Following Lipinski's Rule of Five, 7-Iodoacetamidocoumarin-4-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Iodoacetamidocoumarin-4-carboxylic acid?
The CAS number of 7-Iodoacetamidocoumarin-4-carboxylic acid is 284679-24-9.
What is the molecular formula of 7-Iodoacetamidocoumarin-4-carboxylic acid?
The molecular formula of 7-Iodoacetamidocoumarin-4-carboxylic acid is C12H8INO5.
What is the molecular weight of 7-Iodoacetamidocoumarin-4-carboxylic acid?
The molecular weight of 7-Iodoacetamidocoumarin-4-carboxylic acid is 372.94 g/mol.
Where can I buy 7-Iodoacetamidocoumarin-4-carboxylic acid?
You can request a quote for 7-Iodoacetamidocoumarin-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Iodoacetamidocoumarin-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Iodoacetamidocoumarin-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.