![2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one structure](/static/products/6867/686771-73-3.webp)
2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
TL;DR: 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one (CAS 686771-73-3) is a chemical compound with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: F0579-0169, 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-methylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 3-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C20H17N3O3S2 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 4.38962 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.07114 |
| Heavy Atoms | 28 |
| Complexity | 1093.4191 |
Chemical Identifiers
| CAS Number | 686771-73-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one (CAS 686771-73-3), with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol. IUPAC: 3-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Property Insights of 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 4.38962 indicates that 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-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-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-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-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is 686771-73-3.
What is the molecular formula of 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is C20H17N3O3S2.
What is the molecular weight of 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one is 411.07 g/mol.
Where can I buy 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-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-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-nitrobenzyl)thio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.