![N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide structure](/static/products/6789/678979-25-4.webp)
N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide
TL;DR: N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 678979-25-4) is a chemical compound with molecular formula C21H20FN3O2S2 and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-fluorophenyl)acetamide, N-(3-fluorophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(3-fluorophenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide, N-(3-fluorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C21H20FN3O2S2 |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 4.3927 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.09808 |
| Heavy Atoms | 29 |
| Complexity | 1152.769 |
Chemical Identifiers
| CAS Number | 678979-25-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)F)SC4=C2CCCC4 |
Product Overview
N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 678979-25-4), with molecular formula C21H20FN3O2S2 and molecular weight 429.10 g/mol. IUPAC: N-(3-fluorophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide
Property Insights of N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide
The XLogP value of 4.3927 indicates that N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide. Following Lipinski's Rule of Five, N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide 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 N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide?
The CAS number of N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide is 678979-25-4.
What is the molecular formula of N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular formula of N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide is C21H20FN3O2S2.
What is the molecular weight of N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular weight of N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide is 429.10 g/mol.
Where can I buy N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide?
You can request a quote for N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-fluorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-2-ylthio))acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.