![3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one structure](/static/products/5777/577763-76-9.webp)
3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
TL;DR: 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one (CAS 577763-76-9) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
Also Known As: 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one, 3-ethyl-2-((4-nitrobenzyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one, 3-ethyl-2-[(4-nitrobenzyl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.8907 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 1109.1193 |
Chemical Identifiers
| CAS Number | 577763-76-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3CCCCC3=C2)N=C1SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one (CAS 577763-76-9), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one.
Chemical Property Profile of 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
Property Insights of 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
The XLogP value of 3.8907 indicates that 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one. Following Lipinski's Rule of Five, 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-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 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The CAS number of 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is 577763-76-9.
What is the molecular formula of 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The molecular formula of 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is C20H20N4O3S.
What is the molecular weight of 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The molecular weight of 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is 396.13 g/mol.
Where can I buy 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
You can request a quote for 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.