![2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/3733/373373-63-8.webp)
2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 373373-63-8) is a chemical compound with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-methylprop-2-enylsulfanyl)-11-(2-phenylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-[(2-METHYLALLYL)SULFANYL]-3-PHENETHYL-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-(2-phenylethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-(2-methylprop-2-enylsulfanyl)-2-(2-phenylethyl)-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one
| Molecular Formula | C21H22N2OS2 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 4.8576 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.11737 |
| Heavy Atoms | 26 |
| Complexity | 1017.9074 |
Chemical Identifiers
| CAS Number | 373373-63-8 |
|---|---|
| SMILES | CC(=C)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1CCC4=CC=CC=C4 |
Product Overview
2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 373373-63-8), with molecular formula C21H22N2OS2 and molecular weight 382.12 g/mol. IUPAC: 10-(2-methylprop-2-enylsulfanyl)-11-(2-phenylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 4.8576 indicates that 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one has 0 hydrogen bond donor(s) and 4 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 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 373373-63-8.
What is the molecular formula of 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C21H22N2OS2.
What is the molecular weight of 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 382.12 g/mol.
Where can I buy 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-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-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-methylallyl)thio)-3-phenethyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.