![Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate structure](/static/products/3816/381679-25-0.webp)
Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate
TL;DR: Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate (CAS 381679-25-0) is a chemical compound with molecular formula C21H22FNO4S and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C21H22FNO4S |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 4.5671 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.12537 |
| Heavy Atoms | 28 |
| Complexity | 915.23193 |
Chemical Identifiers
| CAS Number | 381679-25-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C=CC3=CC=C(C=C3)F |
Product Overview
Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate (CAS 381679-25-0), with molecular formula C21H22FNO4S and molecular weight 403.13 g/mol. IUPAC: ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate
Property Insights of Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate
The XLogP value of 4.5671 indicates that Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate has 1 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 Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate?
The CAS number of Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate is 381679-25-0.
What is the molecular formula of Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate?
The molecular formula of Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate is C21H22FNO4S.
What is the molecular weight of Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate?
The molecular weight of Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate is 403.13 g/mol.
Where can I buy Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate?
You can request a quote for Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-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 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.