![2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one structure](/static/products/6875/687569-18-2.webp)
2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
TL;DR: 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CAS 687569-18-2) is a chemical compound with molecular formula C16H17N3O3S2 and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: F0579-0862, 2-butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one, 2-(butylsulfanyl)-3-(4-nitrophenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 2-(butylthio)-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C16H17N3O3S2 |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 3.6811 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.07114 |
| Heavy Atoms | 24 |
| Complexity | 818.55273 |
Chemical Identifiers
| CAS Number | 687569-18-2 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])SCC2 |
Product Overview
2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CAS 687569-18-2), with molecular formula C16H17N3O3S2 and molecular weight 363.07 g/mol. IUPAC: 2-butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Property Insights of 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
The XLogP value of 3.6811 indicates that 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 6 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-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The CAS number of 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is 687569-18-2.
What is the molecular formula of 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The molecular formula of 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is C16H17N3O3S2.
What is the molecular weight of 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The molecular weight of 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is 363.07 g/mol.
Where can I buy 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
You can request a quote for 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-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-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Butylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.