![8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one structure](/static/products/5679/5679-07-2.webp)
8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
TL;DR: 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one (CAS 5679-07-2) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,13-dimethyl-6-(2-methylphenyl)-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one
Also Known As: 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, AJ-292/41342514, 13,13-Dimethyl-6-(2-methylphenyl)-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one, 2-Mercapto-7,7-dimethyl-3-o-tolyl-3,5,7,8-tetrahydro-6-oxa-1,3,9-triaza-anthracen-4-one, 2-mercapto-8,8-dimethyl-3-(o-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.60301 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 1111.8328 |
Chemical Identifiers
| CAS Number | 5679-07-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=C(NC2=S)N=C4CC(OCC4=C3)(C)C |
Product Overview
8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one (CAS 5679-07-2), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: 13,13-dimethyl-6-(2-methylphenyl)-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one.
Chemical Property Profile of 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Property Insights of 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
The XLogP value of 3.60301 indicates that 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.91 Ų, 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 4 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 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The CAS number of 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is 5679-07-2.
What is the molecular formula of 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The molecular formula of 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is C19H19N3O2S.
What is the molecular weight of 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The molecular weight of 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is 353.12 g/mol.
Where can I buy 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
You can request a quote for 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8,8-dimethyl-3-(2-methylphenyl)-2-sulfanyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.