![2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/489/489465-04-5.webp)
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 489465-04-5) is a chemical compound with molecular formula C26H23ClN2O2S2 and molecular weight 494.08896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Technical Specifications
| Molecular Formula | C26H23ClN2O2S2 |
| Molecular Weight | 494.08896 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.08896 Da |
| Heavy Atoms | 33 |
| Complexity | 749.0 |
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Cl |
| InChIKey | MDEIDZPIDAAHKU-UHFFFAOYSA-N |
Chemical Property Profile of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 7.1 indicates that 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 489465-04-5.
What is the molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C26H23ClN2O2S2.
What is the molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 494.08896 g/mol.
Where can I buy 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-phenethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.