![2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one structure](/static/products/373/373616-52-5.png)
2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
TL;DR: 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one (CAS 373616-52-5) is a chemical compound with molecular formula C26H33N3O3S and molecular weight 467.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptylsulfanyl-6-(4-methoxyphenyl)-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 2-(heptylthio)-3-(4-methoxyphenyl)-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
| Molecular Formula | C26H33N3O3S |
|---|---|
| Molecular Weight | 467.22 g/mol |
| LogP | 5.7031 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.22427 |
| Heavy Atoms | 33 |
| Complexity | 1172.1011 |
Chemical Identifiers
| CAS Number | 373616-52-5 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(C=C3COC(CC3=N2)(C)C)C(=O)N1C4=CC=C(C=C4)OC |
Product Overview
2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one (CAS 373616-52-5), with molecular formula C26H33N3O3S and molecular weight 467.22 g/mol. IUPAC: 5-heptylsulfanyl-6-(4-methoxyphenyl)-13,13-dimethyl-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-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Property Insights of 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
The XLogP value of 5.7031 indicates that 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-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 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The CAS number of 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is 373616-52-5.
What is the molecular formula of 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The molecular formula of 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is C26H33N3O3S.
What is the molecular weight of 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one?
The molecular weight of 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one is 467.22 g/mol.
Where can I buy 2-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-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-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-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-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-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-(heptylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-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.