![3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/351/351007-42-6.png)
3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 351007-42-6) is a chemical compound with molecular formula C17H18N2OS2 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylprop-2-enyl)-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(2-methylprop-2-en-1-yl)-2-(prop-2-yn-1-ylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(2-methylprop-2-enyl)-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C17H18N2OS2 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 3.6382 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.08606 |
| Heavy Atoms | 22 |
| Complexity | 838.9317 |
Chemical Identifiers
| CAS Number | 351007-42-6 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC#C)SC3=C2CCCC3 |
Product Overview
3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 351007-42-6), with molecular formula C17H18N2OS2 and molecular weight 330.09 g/mol. IUPAC: 3-(2-methylprop-2-enyl)-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 3.6382 indicates that 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-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. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[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, 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-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 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 351007-42-6.
What is the molecular formula of 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C17H18N2OS2.
What is the molecular weight of 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 330.09 g/mol.
Where can I buy 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[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 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-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.