6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid
TL;DR: 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid (CAS 91330-22-2) 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.
6-[(2-iodoacetyl)amino]-2-oxochromene-3-carboxylic acid
Also Known As: 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid, 6-[(2-iodoacetyl)amino]-2-oxochromene-3-carboxylic acid, 6-(2-Iodoacetamido)-2-oxo-2H-chromene-3-carboxylic acid, 6-[(2-iodoacetyl)amino]-2-oxo-chromene-3-carboxylic acid, 3-Carboxymethyl-4-oxo-3,4-dihydro-thieno<3,2-d>pyrimidin
| Molecular Formula | C12H8INO5 |
|---|---|
| Molecular Weight | 372.94 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.94473 |
| Heavy Atoms | 19 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 91330-22-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1NC(=O)CI)C=C(C(=O)O2)C(=O)O |
| InChIKey | YONNYWHCUUIWFA-UHFFFAOYSA-N |
Product Overview
6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid (CAS 91330-22-2), with molecular formula C12H8INO5 and molecular weight 372.94 g/mol. IUPAC: 6-[(2-iodoacetyl)amino]-2-oxochromene-3-carboxylic acid.
Chemical Property Profile of 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid
Property Insights of 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid. Following Lipinski's Rule of Five, 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid?
The CAS number of 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid is 91330-22-2.
What is the molecular formula of 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid?
The molecular formula of 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid is C12H8INO5.
What is the molecular weight of 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid?
The molecular weight of 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid is 372.94 g/mol.
Where can I buy 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid?
You can request a quote for 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-((Iodoacetyl)amino)-2-oxo-2H-chromene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.