![N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide structure](/static/products/842/842977-54-2.png)
N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide
TL;DR: N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide (CAS 842977-54-2) is a chemical compound with molecular formula C21H21ClN4O2S and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(3-ethyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
Also Known As: N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide, N-(4-chlorophenyl)-2-[(3-ethyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide, N-(4-chlorophenyl)-2-((3-ethyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetamide, N-(4-chlorophenyl)-2-[(3-ethyl-4-keto-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio]acetamide, N-(4-chlorophenyl)-2-[(3-ethyl-4-oxidanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]ethanamide
| Molecular Formula | C21H21ClN4O2S |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 4.0744 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.10736 |
| Heavy Atoms | 29 |
| Complexity | 1128.2146 |
Chemical Identifiers
| CAS Number | 842977-54-2 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3CCCCC3=C2)N=C1SCC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide (CAS 842977-54-2), with molecular formula C21H21ClN4O2S and molecular weight 428.11 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(3-ethyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide
Property Insights of N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide
The XLogP value of 4.0744 indicates that N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-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-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide. Following Lipinski's Rule of Five, N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-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-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide?
The CAS number of N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide is 842977-54-2.
What is the molecular formula of N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide?
The molecular formula of N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide is C21H21ClN4O2S.
What is the molecular weight of N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide?
The molecular weight of N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide is 428.11 g/mol.
Where can I buy N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide?
You can request a quote for N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-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-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-phenyl)-2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.