![1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide structure](/static/products/727/727391-96-0.png)
1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide
TL;DR: 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide (CAS 727391-96-0) is a chemical compound with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-N-(2-methylphenyl)-5-(4-methylsulfanylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
Also Known As: 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide, 1,3,7-trimethyl-5-(4-(methylthio)phenyl)-2,4-dioxo-N-(o-tolyl)-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide, 1,3,7-trimethyl-N-(2-methylphenyl)-5-(4-methylsulfanylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, 4-hydroxy-1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,5-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, N-(2-methylphenyl)[1,3,7-trimethyl-5-(4-methylthiophenyl)-2,4-dioxo(1,3,5,8-te trahydropyridino[2,3-d]pyrimidin-6-yl)]carboxamide
| Molecular Formula | C25H26N4O3S |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 3.58442 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.17258 |
| Heavy Atoms | 33 |
| Complexity | 1400.6299 |
Chemical Identifiers
| CAS Number | 727391-96-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC3=C(C2C4=CC=C(C=C4)SC)C(=O)N(C(=O)N3C)C)C |
Product Overview
1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide (CAS 727391-96-0), with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol. IUPAC: 1,3,7-trimethyl-N-(2-methylphenyl)-5-(4-methylsulfanylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide.
Chemical Property Profile of 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide
Property Insights of 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide
The XLogP value of 3.58442 indicates that 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide. Following Lipinski's Rule of Five, 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide has 2 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 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide?
The CAS number of 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide is 727391-96-0.
What is the molecular formula of 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide?
The molecular formula of 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide is C25H26N4O3S.
What is the molecular weight of 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide?
The molecular weight of 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide is 462.17 g/mol.
Where can I buy 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide?
You can request a quote for 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-trimethyl-N-(2-methylphenyl)-5-[4-(methylsulfanyl)phenyl]-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.