![2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one structure](/static/products/369/369403-82-7.png)
2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
TL;DR: 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 369403-82-7) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,13-dimethyl-6-(4-methylphenyl)-5-prop-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: 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one, 8,8-dimethyl-3-(4-methylphenyl)-2-(prop-2-en-1-ylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 4.21852 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 1117.3154 |
Chemical Identifiers
| CAS Number | 369403-82-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C4CC(OCC4=C3)(C)C)N=C2SCC=C |
Product Overview
2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 369403-82-7), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 13,13-dimethyl-6-(4-methylphenyl)-5-prop-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 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
Property Insights of 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
The XLogP value of 4.21852 indicates that 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-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, 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-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, 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-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 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The CAS number of 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 369403-82-7.
What is the molecular formula of 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular formula of 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is C22H23N3O2S.
What is the molecular weight of 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular weight of 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 393.15 g/mol.
Where can I buy 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
You can request a quote for 2-(allylthio)-8,8-dimethyl-3-(p-tolyl)-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-(allylthio)-8,8-dimethyl-3-(p-tolyl)-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-(allylthio)-8,8-dimethyl-3-(p-tolyl)-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.