![3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one structure](/static/products/841/841206-25-5.png)
3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
TL;DR: 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 841206-25-5) is a chemical compound with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-13,13-dimethyl-5-phenacylsulfanyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one, 3-ethyl-8,8-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H23N3O3S |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 3.6377 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.14603 |
| Heavy Atoms | 29 |
| Complexity | 1139.4879 |
Chemical Identifiers
| CAS Number | 841206-25-5 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3CC(OCC3=C2)(C)C)N=C1SCC(=O)C4=CC=CC=C4 |
Product Overview
3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 841206-25-5), with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol. IUPAC: 6-ethyl-13,13-dimethyl-5-phenacylsulfanyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
Chemical Property Profile of 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
Property Insights of 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
The XLogP value of 3.6377 indicates that 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-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 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one. Following Lipinski's Rule of Five, 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-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 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The CAS number of 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 841206-25-5.
What is the molecular formula of 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular formula of 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is C22H23N3O3S.
What is the molecular weight of 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular weight of 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 409.15 g/mol.
Where can I buy 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
You can request a quote for 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-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 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-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 3-ethyl-8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-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.