Ethyl 6-chloro-4-oxo-chromene-2-carboxylate
TL;DR: Ethyl 6-chloro-4-oxo-chromene-2-carboxylate (CAS 5463-91-2) is a chemical compound with molecular formula C12H9ClO4 and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-4-oxochromene-2-carboxylate
Also Known As: ETHYL 6-CHLORO-4-OXO-CHROMENE-2-CARBOXYLATE, Maybridge4_001052, ethyl 6-chloro-4-oxo-4H-chromene-2-carboxylate, ethyl 6-chloro-4-oxochromene-2-carboxylate, ethyl 6-chlorochromone-2-carboxylate
| Molecular Formula | C12H9ClO4 |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.01894 |
| Heavy Atoms | 17 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 5463-91-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl |
| InChIKey | JKMIKRDROJBJMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6-chloro-4-oxo-chromene-2-carboxylate (CAS 5463-91-2), with molecular formula C12H9ClO4 and molecular weight 252.02 g/mol. IUPAC: ethyl 6-chloro-4-oxochromene-2-carboxylate.
Chemical Property Profile of Ethyl 6-chloro-4-oxo-chromene-2-carboxylate
Property Insights of Ethyl 6-chloro-4-oxo-chromene-2-carboxylate
The XLogP value of 3.0 indicates that Ethyl 6-chloro-4-oxo-chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 6-chloro-4-oxo-chromene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-chloro-4-oxo-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-chloro-4-oxo-chromene-2-carboxylate?
The CAS number of Ethyl 6-chloro-4-oxo-chromene-2-carboxylate is 5463-91-2.
What is the molecular formula of Ethyl 6-chloro-4-oxo-chromene-2-carboxylate?
The molecular formula of Ethyl 6-chloro-4-oxo-chromene-2-carboxylate is C12H9ClO4.
What is the molecular weight of Ethyl 6-chloro-4-oxo-chromene-2-carboxylate?
The molecular weight of Ethyl 6-chloro-4-oxo-chromene-2-carboxylate is 252.02 g/mol.
Where can I buy Ethyl 6-chloro-4-oxo-chromene-2-carboxylate?
You can request a quote for Ethyl 6-chloro-4-oxo-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-chloro-4-oxo-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-chloro-4-oxo-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.