![2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide structure](/static/products/5369/536990-33-7.webp)
2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
TL;DR: 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CAS 536990-33-7) is a chemical compound with molecular formula C21H20FN5O2S and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-fluorophenyl)methylthio]-7-(4-methoxyphenyl)-5-methyl-4,7,8-trihydro-1,2 ,4-triazolo[1,5-a]pyrimidine-6-carboxamide, 2-{[(2-fluorophenyl)methyl]sulfanyl}-7-(4-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C21H20FN5O2S |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 3.4923 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.13217 |
| Heavy Atoms | 30 |
| Complexity | 1126.6803 |
Chemical Identifiers
| CAS Number | 536990-33-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3F)N1)C4=CC=C(C=C4)OC)C(=O)N |
Product Overview
2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CAS 536990-33-7), with molecular formula C21H20FN5O2S and molecular weight 425.13 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Property Insights of 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
The XLogP value of 3.4923 indicates that 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide. Following Lipinski's Rule of Five, 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has 2 hydrogen bond donor(s) and 6 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]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The CAS number of 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is 536990-33-7.
What is the molecular formula of 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The molecular formula of 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is C21H20FN5O2S.
What is the molecular weight of 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The molecular weight of 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is 425.13 g/mol.
Where can I buy 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
You can request a quote for 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]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 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-fluorobenzyl)thio]-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.