![8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one structure](/static/products/374/374095-95-1.png)
8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
TL;DR: 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 374095-95-1) is a chemical compound with molecular formula C27H25N3O3S and molecular weight 471.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-ethyl-13-methyl-5-phenacylsulfanyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one, 8-ethyl-8-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C27H25N3O3S |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 4.9971 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.16165 |
| Heavy Atoms | 34 |
| Complexity | 1420.2623 |
Chemical Identifiers
| CAS Number | 374095-95-1 |
|---|---|
| SMILES | CCC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C |
Product Overview
8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 374095-95-1), with molecular formula C27H25N3O3S and molecular weight 471.16 g/mol. IUPAC: 13-ethyl-13-methyl-5-phenacylsulfanyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
Chemical Property Profile of 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
Property Insights of 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
The XLogP value of 4.9971 indicates that 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-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 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one. Following Lipinski's Rule of Five, 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-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 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The CAS number of 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 374095-95-1.
What is the molecular formula of 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular formula of 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is C27H25N3O3S.
What is the molecular weight of 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular weight of 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 471.16 g/mol.
Where can I buy 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
You can request a quote for 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-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 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-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 8-ethyl-8-methyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-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.