![2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE structure](/static/products/328/328068-66-2.png)
2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
TL;DR: 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE (CAS 328068-66-2) is a chemical compound with molecular formula C16H18N2OS2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(2-methylprop-2-enyl)-10-prop-2-enylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 2-(allylthio)-3-(2-methylallyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3-(2-methylprop-2-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H18N2OS2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 3.8009 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.08606 |
| Heavy Atoms | 21 |
| Complexity | 785.65137 |
Chemical Identifiers
| CAS Number | 328068-66-2 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC=C)SC3=C2CCC3 |
Product Overview
2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE (CAS 328068-66-2), with molecular formula C16H18N2OS2 and molecular weight 318.09 g/mol. IUPAC: 11-(2-methylprop-2-enyl)-10-prop-2-enylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
Property Insights of 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
The XLogP value of 3.8009 indicates that 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-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-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-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-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE?
The CAS number of 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE is 328068-66-2.
What is the molecular formula of 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE?
The molecular formula of 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE is C16H18N2OS2.
What is the molecular weight of 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE?
The molecular weight of 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE is 318.09 g/mol.
Where can I buy 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE?
You can request a quote for 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE?
Yes, KEHONG BIO provides custom synthesis services for 2-(ALLYLSULFANYL)-3-(2-METHYLALLYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.