![3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one structure](/static/products/842/842971-95-3.png)
3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
TL;DR: 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one (CAS 842971-95-3) is a chemical compound with molecular formula C25H22ClN3OS and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-(2-phenylethylsulfanyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
Also Known As: 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one, 3-(3-chlorophenyl)-2-phenethylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one, 3-(3-chlorophenyl)-2-[(2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
| Molecular Formula | C25H22ClN3OS |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 5.6477 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.11722 |
| Heavy Atoms | 31 |
| Complexity | 1303.6527 |
Chemical Identifiers
| CAS Number | 842971-95-3 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=C2C1)C(=O)N(C(=N3)SCCC4=CC=CC=C4)C5=CC(=CC=C5)Cl |
Product Overview
3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one (CAS 842971-95-3), with molecular formula C25H22ClN3OS and molecular weight 447.12 g/mol. IUPAC: 3-(3-chlorophenyl)-2-(2-phenylethylsulfanyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one.
Chemical Property Profile of 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Property Insights of 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
The XLogP value of 5.6477 indicates that 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
The CAS number of 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is 842971-95-3.
What is the molecular formula of 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
The molecular formula of 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is C25H22ClN3OS.
What is the molecular weight of 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
The molecular weight of 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is 447.12 g/mol.
Where can I buy 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
You can request a quote for 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-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 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.