![1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone structure](/static/products/165/165684-74-2.png)
1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone
TL;DR: 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone (CAS 165684-74-2) is a chemical compound with molecular formula C16H15ClN4OS and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-chlorophenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Also Known As: 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone, 1-(2-((4-chlorobenzyl)thio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone, 1-(2-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)ETHAN-1-ONE, 1-[2-[(4-chlorophenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone, 6-acetyl-2-[(4-chlorophenyl)methylthio]-5,7-dimethyl-8-hydro-1,2,4-triazolo[1, 5-a]pyrimidine
| Molecular Formula | C16H15ClN4OS |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 3.88944 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.06552 |
| Heavy Atoms | 23 |
| Complexity | 889.2268 |
Chemical Identifiers
| CAS Number | 165684-74-2 |
|---|---|
| SMILES | CC1=C(C(=NC2=NC(=NN12)SCC3=CC=C(C=C3)Cl)C)C(=O)C |
Product Overview
1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone (CAS 165684-74-2), with molecular formula C16H15ClN4OS and molecular weight 346.07 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
Chemical Property Profile of 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone
Property Insights of 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone
The XLogP value of 3.88944 indicates that 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone. Following Lipinski's Rule of Five, 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone has 0 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 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone?
The CAS number of 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone is 165684-74-2.
What is the molecular formula of 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone?
The molecular formula of 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone is C16H15ClN4OS.
What is the molecular weight of 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone?
The molecular weight of 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone is 346.07 g/mol.
Where can I buy 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone?
You can request a quote for 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.