![2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione structure](/static/products/896/896674-85-4.png)
2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione
TL;DR: 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione (CAS 896674-85-4) is a chemical compound with molecular formula C19H21N3O5S and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-prop-2-enylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
Also Known As: 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione, 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-prop-2-enylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione, 7-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-(prop-2-en-1-ylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C19H21N3O5S |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 2.2553 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.12018 |
| Heavy Atoms | 28 |
| Complexity | 976.78925 |
Chemical Identifiers
| CAS Number | 896674-85-4 |
|---|---|
| SMILES | CN1C2=C(C(CC(=O)N2)C3=CC(=C(C(=C3)OC)O)OC)C(=O)N=C1SCC=C |
Product Overview
2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione (CAS 896674-85-4), with molecular formula C19H21N3O5S and molecular weight 403.12 g/mol. IUPAC: 5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-prop-2-enylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.
Chemical Property Profile of 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione
Property Insights of 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione
The XLogP value of 2.2553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione. Following Lipinski's Rule of Five, 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione has 2 hydrogen bond donor(s) and 7 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)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione?
The CAS number of 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione is 896674-85-4.
What is the molecular formula of 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione?
The molecular formula of 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione is C19H21N3O5S.
What is the molecular weight of 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione?
The molecular weight of 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione is 403.12 g/mol.
Where can I buy 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione?
You can request a quote for 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(allylthio)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.