![2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/351/351004-79-0.png)
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 351004-79-0) is a chemical compound with molecular formula C26H24ClN3O2S2 and molecular weight 509.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-11-methyl-4-(2-phenylethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C26H24ClN3O2S2 |
|---|---|
| Molecular Weight | 509.10 g/mol |
| LogP | 5.317 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.09985 |
| Heavy Atoms | 34 |
| Complexity | 1397.8358 |
Chemical Identifiers
| CAS Number | 351004-79-0 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)CCC5=CC=CC=C5 |
Product Overview
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 351004-79-0), with molecular formula C26H24ClN3O2S2 and molecular weight 509.10 g/mol. IUPAC: 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-11-methyl-4-(2-phenylethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.317 indicates that 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 351004-79-0.
What is the molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C26H24ClN3O2S2.
What is the molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 509.10 g/mol.
Where can I buy 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-7-methyl-3-phenethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.