![3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one structure](/static/products/372/372972-47-9.png)
3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
TL;DR: 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one (CAS 372972-47-9) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-13,13-dimethyl-5-methylsulfanyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylthio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.3625 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 1074.5074 |
Chemical Identifiers
| CAS Number | 372972-47-9 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SC)C4=CC=C(C=C4)OC)C |
Product Overview
3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one (CAS 372972-47-9), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: 6-(4-methoxyphenyl)-13,13-dimethyl-5-methylsulfanyl-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-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Property Insights of 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
The XLogP value of 3.3625 indicates that 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-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. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-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-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The CAS number of 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is 372972-47-9.
What is the molecular formula of 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The molecular formula of 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is C20H21N3O3S.
What is the molecular weight of 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The molecular weight of 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is 383.13 g/mol.
Where can I buy 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
You can request a quote for 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-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 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-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 3-(4-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-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.