![3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/314/314042-06-3.png)
3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 314042-06-3) is a chemical compound with molecular formula C19H18N2OS2 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-benzylsulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-(benzylsulfanyl)-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-ALLYL-2-(BENZYLSULFANYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
| Molecular Formula | C19H18N2OS2 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 4.425 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.08606 |
| Heavy Atoms | 24 |
| Complexity | 956.8975 |
Chemical Identifiers
| CAS Number | 314042-06-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)SC4=C2CCC4 |
Product Overview
3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 314042-06-3), with molecular formula C19H18N2OS2 and molecular weight 354.09 g/mol. IUPAC: 10-benzylsulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 4.425 indicates that 3-allyl-2-(benzylthio)-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, 3-allyl-2-(benzylthio)-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, 3-allyl-2-(benzylthio)-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 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 314042-06-3.
What is the molecular formula of 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C19H18N2OS2.
What is the molecular weight of 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 354.09 g/mol.
Where can I buy 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 3-allyl-2-(benzylthio)-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 3-allyl-2-(benzylthio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-(benzylthio)-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.