![2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide structure](/static/products/5369/536991-79-4.webp)
2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
TL;DR: 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CAS 536991-79-4) is a chemical compound with molecular formula C20H18ClN5O2S and molecular weight 427.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-chlorophenyl)methylsulfanyl]-7-(3-hydroxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-chlorophenyl)methylthio]-7-(3-hydroxyphenyl)-5-methyl-4,7,8-trihydro-1,2 ,4-triazolo[1,5-a]pyrimidine-6-carboxamide, 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(3-hydroxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C20H18ClN5O2S |
|---|---|
| Molecular Weight | 427.09 g/mol |
| LogP | 3.7036 |
| Topological Polar Surface Area | 106.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.08698 |
| Heavy Atoms | 29 |
| Complexity | 1127.5643 |
Chemical Identifiers
| CAS Number | 536991-79-4 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3Cl)N1)C4=CC(=CC=C4)O)C(=O)N |
Product Overview
2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CAS 536991-79-4), with molecular formula C20H18ClN5O2S and molecular weight 427.09 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Property Insights of 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
The XLogP value of 3.7036 indicates that 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-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 106.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide. Following Lipinski's Rule of Five, 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has 3 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-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The CAS number of 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is 536991-79-4.
What is the molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is C20H18ClN5O2S.
What is the molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is 427.09 g/mol.
Where can I buy 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
You can request a quote for 2-[(2-chlorobenzyl)sulfanyl]-7-(3-hydroxyphenyl)-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)sulfanyl]-7-(3-hydroxyphenyl)-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)sulfanyl]-7-(3-hydroxyphenyl)-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.