![2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide structure](/static/products/5369/536991-84-1.webp)
2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
TL;DR: 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CAS 536991-84-1) is a chemical compound with molecular formula C23H24ClN5OS and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-7-(4-propan-2-ylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-[4-(propan-2-yl)phenyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, F0576-0926, 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-7-(4-propan-2-ylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-7-(4-propan-2-ylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C23H24ClN5OS |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 5.1214 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.139 |
| Heavy Atoms | 31 |
| Complexity | 1153.0284 |
Chemical Identifiers
| CAS Number | 536991-84-1 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3Cl)N1)C4=CC=C(C=C4)C(C)C)C(=O)N |
Product Overview
2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CAS 536991-84-1), with molecular formula C23H24ClN5OS and molecular weight 453.14 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-7-(4-propan-2-ylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Property Insights of 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
The XLogP value of 5.1214 indicates that 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-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 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide. Following Lipinski's Rule of Five, 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The CAS number of 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is 536991-84-1.
What is the molecular formula of 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The molecular formula of 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is C23H24ClN5OS.
What is the molecular weight of 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The molecular weight of 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is 453.14 g/mol.
Where can I buy 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
You can request a quote for 2-((2-chlorobenzyl)thio)-7-(4-isopropylphenyl)-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-chlorobenzyl)thio)-7-(4-isopropylphenyl)-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-chlorobenzyl)thio)-7-(4-isopropylphenyl)-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.