![3-ethyl-8,8-dimethyl-2-((2-methylallyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one structure](/static/products/858/858757-86-5.png)
3-ethyl-8,8-dimethyl-2-((2-methylallyl)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-methylallyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 858757-86-5) is a chemical compound with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-13,13-dimethyl-5-(2-methylprop-2-enylsulfanyl)-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-methylallyl)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-methylprop-2-en-1-yl)sulfanyl]-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C18H23N3O2S |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | 3.3309 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.1511 |
| Heavy Atoms | 24 |
| Complexity | 870.6734 |
Chemical Identifiers
| CAS Number | 858757-86-5 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3CC(OCC3=C2)(C)C)N=C1SCC(=C)C |
Product Overview
3-ethyl-8,8-dimethyl-2-((2-methylallyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 858757-86-5), with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol. IUPAC: 6-ethyl-13,13-dimethyl-5-(2-methylprop-2-enylsulfanyl)-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-methylallyl)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-methylallyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
The XLogP value of 3.3309 indicates that 3-ethyl-8,8-dimethyl-2-((2-methylallyl)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. With a topological polar surface area (TPSA) of 57.01 Ų, 3-ethyl-8,8-dimethyl-2-((2-methylallyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-8,8-dimethyl-2-((2-methylallyl)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 5 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-methylallyl)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-methylallyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 858757-86-5.
What is the molecular formula of 3-ethyl-8,8-dimethyl-2-((2-methylallyl)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-methylallyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is C18H23N3O2S.
What is the molecular weight of 3-ethyl-8,8-dimethyl-2-((2-methylallyl)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-methylallyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 345.15 g/mol.
Where can I buy 3-ethyl-8,8-dimethyl-2-((2-methylallyl)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-methylallyl)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-methylallyl)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-methylallyl)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.