2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate
TL;DR: 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate (CAS 7047-22-5) is a chemical compound with molecular formula C13H9F3O5 and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate
Also Known As: 3,5-Octadien-2-ol,2,6-dimethyl, 2,2,2-trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate, 1-Chlor-2-cyan-1-trichlorphosphoranylidenamino-aethylen, 2,2,2-trifluoroethyl 7-methoxy-2-oxo-chromene-3-carboxylate, 2,2,2-Trifluoroethyl 7-methoxy-2-oxo-2H-1-benzopyran-3-carboxylate
| Molecular Formula | C13H9F3O5 |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 2.5207 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.04022 |
| Heavy Atoms | 21 |
| Complexity | 732.64465 |
Chemical Identifiers
| CAS Number | 7047-22-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC(F)(F)F |
Product Overview
2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate (CAS 7047-22-5), with molecular formula C13H9F3O5 and molecular weight 302.04 g/mol. IUPAC: 2,2,2-trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate
Property Insights of 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate
The XLogP value of 2.5207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate has 0 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 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate?
The CAS number of 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate is 7047-22-5.
What is the molecular formula of 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate?
The molecular formula of 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate is C13H9F3O5.
What is the molecular weight of 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate?
The molecular weight of 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate is 302.04 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate?
You can request a quote for 2,2,2-Trifluoroethyl 7-methoxy-2-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 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 7-methoxy-2-oxochromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.