![N-benzyl-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide structure](/static/products/578/578734-80-2.png)
N-benzyl-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide
TL;DR: N-benzyl-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide (CAS 578734-80-2) is a chemical compound with molecular formula C26H23ClN4O2S and molecular weight 490.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[3-(3-chlorophenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]acetamide
Also Known As: N-benzyl-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide, N-benzyl-2-[[3-(3-chlorophenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]acetamide, N-benzyl-2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C26H23ClN4O2S |
|---|---|
| Molecular Weight | 490.12 g/mol |
| LogP | 4.7214 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.12302 |
| Heavy Atoms | 34 |
| Complexity | 1421.9995 |
Chemical Identifiers
| CAS Number | 578734-80-2 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=C2C1)C(=O)N(C(=N3)SCC(=O)NCC4=CC=CC=C4)C5=CC(=CC=C5)Cl |
Product Overview
N-benzyl-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide (CAS 578734-80-2), with molecular formula C26H23ClN4O2S and molecular weight 490.12 g/mol. IUPAC: N-benzyl-2-[[3-(3-chlorophenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-benzyl-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-benzyl-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 4.7214 indicates that N-benzyl-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 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-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-benzyl-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 5 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 N-benzyl-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-benzyl-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide is 578734-80-2.
What is the molecular formula of N-benzyl-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-benzyl-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide is C26H23ClN4O2S.
What is the molecular weight of N-benzyl-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-benzyl-2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide is 490.12 g/mol.
Where can I buy N-benzyl-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-benzyl-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-benzyl-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-benzyl-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.