![2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione structure](/static/products/879/879477-25-5.png)
2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione
TL;DR: 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione (CAS 879477-25-5) is a chemical compound with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-5-(4-hydroxyphenyl)-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
Also Known As: 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione, 2-[(2-fluorobenzyl)sulfanyl]-7-hydroxy-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one, 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-hydroxyphenyl)-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
| Molecular Formula | C21H18FN3O3S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 3.3914 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1053 |
| Heavy Atoms | 29 |
| Complexity | 1144.8986 |
Chemical Identifiers
| CAS Number | 879477-25-5 |
|---|---|
| SMILES | CN1C2=C(C(CC(=O)N2)C3=CC=C(C=C3)O)C(=O)N=C1SCC4=CC=CC=C4F |
Product Overview
2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione (CAS 879477-25-5), with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-hydroxyphenyl)-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.
Chemical Property Profile of 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione
Property Insights of 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione
The XLogP value of 3.3914 indicates that 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione. Following Lipinski's Rule of Five, 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione 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 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione?
The CAS number of 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione is 879477-25-5.
What is the molecular formula of 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione?
The molecular formula of 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione is C21H18FN3O3S.
What is the molecular weight of 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione?
The molecular weight of 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione is 411.11 g/mol.
Where can I buy 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione?
You can request a quote for 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-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-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-fluorobenzyl)thio)-5-(4-hydroxyphenyl)-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.