![3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine structure](/static/products/412/41266-74-4.png)
3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
TL;DR: 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 41266-74-4) is a chemical compound with molecular formula C14H13ClN4S and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
Also Known As: 3-[(4-chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine, 3-[(4-chlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine, 3-[(4-chlorophenyl)methylthio]-5,7-dimethyl-4-hydro-1,2,4-triazolo[4,3-a]pyrim idine
| Molecular Formula | C14H13ClN4S |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 3.68684 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.05493 |
| Heavy Atoms | 20 |
| Complexity | 751.70496 |
Chemical Identifiers
| CAS Number | 41266-74-4 |
|---|---|
| SMILES | CC1=CC(=NC2=NN=C(N12)SCC3=CC=C(C=C3)Cl)C |
Product Overview
3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 41266-74-4), with molecular formula C14H13ClN4S and molecular weight 304.05 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine.
Chemical Property Profile of 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Property Insights of 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
The XLogP value of 3.68684 indicates that 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine has 0 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 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The CAS number of 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 41266-74-4.
What is the molecular formula of 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular formula of 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is C14H13ClN4S.
What is the molecular weight of 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular weight of 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 304.05 g/mol.
Where can I buy 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
You can request a quote for 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.