![2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/903/903466-72-8.png)
2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 903466-72-8) is a chemical compound with molecular formula C16H17ClN4OS and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-((2-chlorobenzyl)thio)-5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 2-[(2-chlorobenzyl)thio]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C16H17ClN4OS |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 3.62422 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.08115 |
| Heavy Atoms | 23 |
| Complexity | 902.7219 |
Chemical Identifiers
| CAS Number | 903466-72-8 |
|---|---|
| SMILES | CCCC1=C(N=C2N=C(NN2C1=O)SCC3=CC=CC=C3Cl)C |
Product Overview
2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 903466-72-8), with molecular formula C16H17ClN4OS and molecular weight 348.08 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-6-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 3.62422 indicates that 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. Following Lipinski's Rule of Five, 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one has 1 hydrogen bond donor(s) and 4 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]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 903466-72-8.
What is the molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is C16H17ClN4OS.
What is the molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 348.08 g/mol.
Where can I buy 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one 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]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.