![2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one structure](/static/products/6875/687564-52-9.webp)
2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
TL;DR: 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one (CAS 687564-52-9) is a chemical compound with molecular formula C16H17ClN2OS2 and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, F0579-0662, 2-butylsulfanyl-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one, 2-(butylsulfanyl)-3-(4-chlorophenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C16H17ClN2OS2 |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 4.4263 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0471 |
| Heavy Atoms | 22 |
| Complexity | 728.1611 |
Chemical Identifiers
| CAS Number | 687564-52-9 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Cl)SCC2 |
Product Overview
2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one (CAS 687564-52-9), with molecular formula C16H17ClN2OS2 and molecular weight 352.05 g/mol. IUPAC: 2-butylsulfanyl-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Property Insights of 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 4.4263 indicates that 2-(butylthio)-3-(4-chlorophenyl)-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 34.89 Ų, 2-(butylthio)-3-(4-chlorophenyl)-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-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-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 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is 687564-52-9.
What is the molecular formula of 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is C16H17ClN2OS2.
What is the molecular weight of 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is 352.05 g/mol.
Where can I buy 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 2-(butylthio)-3-(4-chlorophenyl)-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-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(butylthio)-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.