![3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one structure](/static/products/585/585559-27-9.png)
3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
TL;DR: 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one (CAS 585559-27-9) is a chemical compound with molecular formula C25H20ClN3O2S and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
Also Known As: 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one, 3-(3-chlorophenyl)-2-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one, 3-(3-chlorophenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
| Molecular Formula | C25H20ClN3O2S |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 5.2879 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.09647 |
| Heavy Atoms | 32 |
| Complexity | 1385.589 |
Chemical Identifiers
| CAS Number | 585559-27-9 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=C2C1)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl |
Product Overview
3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one (CAS 585559-27-9), with molecular formula C25H20ClN3O2S and molecular weight 461.10 g/mol. IUPAC: 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one.
Chemical Property Profile of 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
Property Insights of 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
The XLogP value of 5.2879 indicates that 3-(3-chlorophenyl)-2-phenacylsulfanyl-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 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one has 0 hydrogen bond donor(s) and 5 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-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The CAS number of 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is 585559-27-9.
What is the molecular formula of 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The molecular formula of 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is C25H20ClN3O2S.
What is the molecular weight of 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The molecular weight of 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is 461.10 g/mol.
Where can I buy 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
You can request a quote for 3-(3-chlorophenyl)-2-phenacylsulfanyl-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-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-2-phenacylsulfanyl-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.