![ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate structure](/static/products/351/351004-82-5.png)
ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate
TL;DR: ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate (CAS 351004-82-5) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetate
Also Known As: ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate, ethyl 2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetate, ethyl [(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetate, ETHYL 2-[(4-OXO-3-PHENYL-3,4,6,7,8,9-HEXAHYDROPYRIMIDO[4,5-B]QUINOLIN-2-YL)SULFANYL]ACETATE
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.3147 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 1079.6863 |
Chemical Identifiers
| CAS Number | 351004-82-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C=C3CCCCC3=N2)C(=O)N1C4=CC=CC=C4 |
Product Overview
ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate (CAS 351004-82-5), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: ethyl 2-[(4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate
Property Insights of ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate
The XLogP value of 3.3147 indicates that ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate. Following Lipinski's Rule of Five, ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 6 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 ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate?
The CAS number of ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate is 351004-82-5.
What is the molecular formula of ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate?
The molecular formula of ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate is C21H21N3O3S.
What is the molecular weight of ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate?
The molecular weight of ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate is 395.13 g/mol.
Where can I buy ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate?
You can request a quote for ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.