![7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/372/372182-98-4.png)
7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 372182-98-4) is a chemical compound with molecular formula C25H28N2O2S2 and molecular weight 452.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-2-phenacylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-allyl-7-(tert-butyl)-2-((2-oxo-2-phenylethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-ALLYL-7-(TERT-BUTYL)-2-[(2-OXO-2-PHENYLETHYL)SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 7-tert-butyl-2-phenacylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H28N2O2S2 |
|---|---|
| Molecular Weight | 452.16 g/mol |
| LogP | 5.77 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.1592 |
| Heavy Atoms | 31 |
| Complexity | 1186.1829 |
Chemical Identifiers
| CAS Number | 372182-98-4 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC=C |
Product Overview
7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 372182-98-4), with molecular formula C25H28N2O2S2 and molecular weight 452.16 g/mol. IUPAC: 7-tert-butyl-2-phenacylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 5.77 indicates that 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-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 51.96 Ų, 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-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, 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 372182-98-4.
What is the molecular formula of 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C25H28N2O2S2.
What is the molecular weight of 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 452.16 g/mol.
Where can I buy 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-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 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-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.