Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate
TL;DR: Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate (CAS 35204-44-5) is a chemical compound with molecular formula C12H9IO4 and molecular weight 343.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-iodo-4-oxochromene-2-carboxylate
Also Known As: Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate, Maybridge1_002002, ethyl 6-iodo-4-oxochromene-2-carboxylate, Ethyl 6-iodochromone-2-carboxylate, Ethyl 6-iodo-4-oxo-4H-1-benzopyran-2-carboxylate
| Molecular Formula | C12H9IO4 |
|---|---|
| Molecular Weight | 343.95 g/mol |
| LogP | 2.5743 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.95456 |
| Heavy Atoms | 17 |
| Complexity | 629.9285 |
Chemical Identifiers
| CAS Number | 35204-44-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)I |
Product Overview
Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate (CAS 35204-44-5), with molecular formula C12H9IO4 and molecular weight 343.95 g/mol. IUPAC: ethyl 6-iodo-4-oxochromene-2-carboxylate.
Chemical Property Profile of Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate
Property Insights of Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate
The XLogP value of 2.5743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate. With a topological polar surface area (TPSA) of 56.51 Ų, Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate has 0 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 Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate?
The CAS number of Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate is 35204-44-5.
What is the molecular formula of Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate?
The molecular formula of Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate is C12H9IO4.
What is the molecular weight of Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate?
The molecular weight of Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate is 343.95 g/mol.
Where can I buy Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate?
You can request a quote for Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.