![N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide structure](/static/products/840/840482-75-9.png)
N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide
TL;DR: N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide (CAS 840482-75-9) is a chemical compound with molecular formula C27H23ClN4O3S and molecular weight 518.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[[3-(3-chlorophenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]acetamide
Also Known As: N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide, N-(4-acetylphenyl)-2-[[3-(3-chlorophenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]acetamide, N-(4-acetylphenyl)-2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C27H23ClN4O3S |
|---|---|
| Molecular Weight | 518.12 g/mol |
| LogP | 5.2463 |
| Topological Polar Surface Area | 93.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.1179 |
| Heavy Atoms | 36 |
| Complexity | 1549.6895 |
Chemical Identifiers
| CAS Number | 840482-75-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C4CCCCC4=N3)C(=O)N2C5=CC(=CC=C5)Cl |
Product Overview
N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide (CAS 840482-75-9), with molecular formula C27H23ClN4O3S and molecular weight 518.12 g/mol. IUPAC: N-(4-acetylphenyl)-2-[[3-(3-chlorophenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide
Property Insights of N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide
The XLogP value of 5.2463 indicates that N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide?
The CAS number of N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide is 840482-75-9.
What is the molecular formula of N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide?
The molecular formula of N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide is C27H23ClN4O3S.
What is the molecular weight of N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide?
The molecular weight of N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide is 518.12 g/mol.
Where can I buy N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide?
You can request a quote for N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetylphenyl)-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.