![3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one structure](/static/products/840/840497-08-7.png)
3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
TL;DR: 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one (CAS 840497-08-7) is a chemical compound with molecular formula C20H20ClN3OS and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-propan-2-ylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
Also Known As: 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one, 3-(3-chlorophenyl)-2-propan-2-ylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one, 3-(3-chlorophenyl)-2-(propan-2-ylsulfanyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
| Molecular Formula | C20H20ClN3OS |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 4.8134 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.10156 |
| Heavy Atoms | 26 |
| Complexity | 1045.1411 |
Chemical Identifiers
| CAS Number | 840497-08-7 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C=C3CCCCC3=N2)C(=O)N1C4=CC(=CC=C4)Cl |
Product Overview
3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one (CAS 840497-08-7), with molecular formula C20H20ClN3OS and molecular weight 385.10 g/mol. IUPAC: 3-(3-chlorophenyl)-2-propan-2-ylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one.
Chemical Property Profile of 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Property Insights of 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
The XLogP value of 4.8134 indicates that 3-(3-chlorophenyl)-2-(isopropylthio)-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-(isopropylthio)-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-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-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 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
The CAS number of 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is 840497-08-7.
What is the molecular formula of 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
The molecular formula of 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is C20H20ClN3OS.
What is the molecular weight of 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
The molecular weight of 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one is 385.10 g/mol.
Where can I buy 3-(3-chlorophenyl)-2-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
You can request a quote for 3-(3-chlorophenyl)-2-(isopropylthio)-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-(isopropylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-2-(isopropylthio)-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.