![2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide structure](/static/products/577/577990-07-9.png)
2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide
TL;DR: 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide (CAS 577990-07-9) is a chemical compound with molecular formula C27H25ClN4O4S and molecular weight 536.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-chlorophenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
Also Known As: 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide, 2-[[3-(3-chlorophenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide, 2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
| Molecular Formula | C27H25ClN4O4S |
|---|---|
| Molecular Weight | 536.13 g/mol |
| LogP | 5.0609 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.1285 |
| Heavy Atoms | 37 |
| Complexity | 1555.9551 |
Chemical Identifiers
| CAS Number | 577990-07-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=C4CCCCC4=N3)C(=O)N2C5=CC(=CC=C5)Cl)OC |
Product Overview
2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide (CAS 577990-07-9), with molecular formula C27H25ClN4O4S and molecular weight 536.13 g/mol. IUPAC: 2-[[3-(3-chlorophenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide
Property Insights of 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide
The XLogP value of 5.0609 indicates that 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide?
The CAS number of 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide is 577990-07-9.
What is the molecular formula of 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide?
The molecular formula of 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide is C27H25ClN4O4S.
What is the molecular weight of 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide?
The molecular weight of 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide is 536.13 g/mol.
Where can I buy 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide?
You can request a quote for 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.