![2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/3746/374606-67-4.webp)
2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 374606-67-4) is a chemical compound with molecular formula C25H22N2O2S2 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenacylsulfanyl-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-((2-oxo-2-phenylethyl)thio)-3-phenyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-phenacylsulfanyl-3-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C25H22N2O2S2 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 5.6911 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.11227 |
| Heavy Atoms | 31 |
| Complexity | 1294.1038 |
Chemical Identifiers
| CAS Number | 374606-67-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 374606-67-4), with molecular formula C25H22N2O2S2 and molecular weight 446.11 g/mol. IUPAC: 5-phenacylsulfanyl-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 5.6911 indicates that 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[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 51.96 Ų, 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[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-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 5 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-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is 374606-67-4.
What is the molecular formula of 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is C25H22N2O2S2.
What is the molecular weight of 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is 446.11 g/mol.
Where can I buy 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[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-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.