![2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/487/487030-47-7.png)
2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 487030-47-7) is a chemical compound with molecular formula C28H28N4O2S2 and molecular weight 516.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 5-{[2-OXO-2-(4-PHENYLPIPERAZIN-1-YL)ETHYL]SULFANYL}-4-PHENYL-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),5-TRIEN-3-ONE
| Molecular Formula | C28H28N4O2S2 |
|---|---|
| Molecular Weight | 516.17 g/mol |
| LogP | 4.7669 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.16534 |
| Heavy Atoms | 36 |
| Complexity | 1441.4387 |
Chemical Identifiers
| CAS Number | 487030-47-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)N5CCN(CC5)C6=CC=CC=C6 |
Product Overview
2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 487030-47-7), with molecular formula C28H28N4O2S2 and molecular weight 516.17 g/mol. IUPAC: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.7669 indicates that 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[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 58.44 Ų, 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 6 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-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 487030-47-7.
What is the molecular formula of 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C28H28N4O2S2.
What is the molecular weight of 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 516.17 g/mol.
Where can I buy 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[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 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.