![2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one structure](/static/products/6867/686772-62-3.webp)
2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
TL;DR: 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one (CAS 686772-62-3) is a chemical compound with molecular formula C18H22N2O2S2 and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butan-2-ylsulfanyl-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: IFLab1_002463, 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, F0579-0463, 2-butan-2-ylsulfanyl-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one, 2-(butan-2-ylsulfanyl)-3-(4-ethoxyphenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C18H22N2O2S2 |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 4.17 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.11227 |
| Heavy Atoms | 24 |
| Complexity | 771.8236 |
Chemical Identifiers
| CAS Number | 686772-62-3 |
|---|---|
| SMILES | CCC(C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OCC)SCC2 |
Product Overview
2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one (CAS 686772-62-3), with molecular formula C18H22N2O2S2 and molecular weight 362.11 g/mol. IUPAC: 2-butan-2-ylsulfanyl-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Property Insights of 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 4.17 indicates that 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-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 44.12 Ų, 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 5 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 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is 686772-62-3.
What is the molecular formula of 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is C18H22N2O2S2.
What is the molecular weight of 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is 362.11 g/mol.
Where can I buy 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-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-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(sec-butylthio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.