![2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one structure](/static/products/370/370577-11-0.png)
2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
TL;DR: 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one (CAS 370577-11-0) is a chemical compound with molecular formula C24H29N3O2S and molecular weight 423.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butylsulfanyl-13-ethyl-13-methyl-6-(4-methylphenyl)-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 2-(butylthio)-8-ethyl-8-methyl-3-(p-tolyl)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
| Molecular Formula | C24H29N3O2S |
|---|---|
| Molecular Weight | 423.20 g/mol |
| LogP | 5.22272 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.19806 |
| Heavy Atoms | 30 |
| Complexity | 1123.9846 |
Chemical Identifiers
| CAS Number | 370577-11-0 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C=C3COC(CC3=N2)(C)CC)C(=O)N1C4=CC=C(C=C4)C |
Product Overview
2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one (CAS 370577-11-0), with molecular formula C24H29N3O2S and molecular weight 423.20 g/mol. IUPAC: 5-butylsulfanyl-13-ethyl-13-methyl-6-(4-methylphenyl)-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-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Property Insights of 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
The XLogP value of 5.22272 indicates that 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-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 57.01 Ų, 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-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, 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-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 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The CAS number of 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is 370577-11-0.
What is the molecular formula of 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The molecular formula of 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is C24H29N3O2S.
What is the molecular weight of 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The molecular weight of 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is 423.20 g/mol.
Where can I buy 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
You can request a quote for 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-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 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-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 2-(butylsulfanyl)-8-ethyl-8-methyl-3-(4-methylphenyl)-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.