TL;DR: ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate (CAS 105799-70-0) is a chemical compound with molecular formula C14H11FO3S and molecular weight 278.0413 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate
Also Known As: ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate, Ethyl 8-fluoro-4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate, 4H-Thieno[3,2-c][1]benzopyran-2-carboxylicacid, 8-fluoro-, ethyl ester, Ethyl 8-fluoro-4H-thieno[3,2-c][1]benzopyran-2-carboxylate, 4H-Thieno[3,2-c][1]benzopyran-2-carboxylicacid,8-fluoro-,ethyl ester
| Molecular Formula | C14H11FO3S |
| Molecular Weight | 278.0413 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 63.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0413 Da |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
| SMILES | CCOC(=O)C1=CC2=C(S1)C3=C(C=CC(=C3)F)OC2 |
| InChIKey | RJJIHFVEBLDZCR-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate is 105799-70-0.
The molecular formula of ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate is C14H11FO3S.
The molecular weight of ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate is 278.0413 g/mol.
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