Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate
TL;DR: Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate (CAS 302935-50-8) is a chemical compound with molecular formula C12H7F3O4 and molecular weight 272.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate
Also Known As: IFLab1_000490, IDI1_008709, BAS 00533393, ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate, ethyl 6,7,8-trifluoro-4-oxo-chromene-3-carboxylate
| Molecular Formula | C12H7F3O4 |
|---|---|
| Molecular Weight | 272.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.02963 |
| Heavy Atoms | 19 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 302935-50-8 |
|---|---|
| SMILES | CCOC(=O)C1=COC2=C(C(=C(C=C2C1=O)F)F)F |
| InChIKey | JFRHZRBBZUSABE-UHFFFAOYSA-N |
Product Overview
Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate (CAS 302935-50-8), with molecular formula C12H7F3O4 and molecular weight 272.03 g/mol. IUPAC: ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate.
Chemical Property Profile of Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate
Property Insights of Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 6,7,8-trifluoro-4-oxochromene-3-carboxylate?
The CAS number of Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate is 302935-50-8.
What is the molecular formula of Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate?
The molecular formula of Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate is C12H7F3O4.
What is the molecular weight of Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate?
The molecular weight of Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate is 272.03 g/mol.
Where can I buy Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate?
You can request a quote for Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6,7,8-trifluoro-4-oxochromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.