![2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one structure](/static/products/577/577986-37-9.png)
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
TL;DR: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 577986-37-9) is a chemical compound with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H22ClN3O3S |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 4.2911 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.10703 |
| Heavy Atoms | 30 |
| Complexity | 1188.9374 |
Chemical Identifiers
| CAS Number | 577986-37-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3CC(OCC3=C2)(C)C)N=C1SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 577986-37-9), with molecular formula C22H22ClN3O3S and molecular weight 443.11 g/mol. IUPAC: 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-ethyl-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
Chemical Property Profile of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
Property Insights of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
The XLogP value of 4.2911 indicates that 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one 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 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one. Following Lipinski's Rule of Five, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one 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 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The CAS number of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 577986-37-9.
What is the molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular formula of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is C22H22ClN3O3S.
What is the molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular weight of 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 443.11 g/mol.
Where can I buy 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
You can request a quote for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-ethyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.