![3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine structure](/static/products/4126/41266-70-0.webp)
3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
TL;DR: 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 41266-70-0) is a chemical compound with molecular formula C14H14N4S and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
Also Known As: BAS 01152550, 3-(benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine, 3-Benzylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine, 3-(benzylthio)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine, 5,7-dimethyl-3-(phenylmethylthio)-4-hydro-1,2,4-triazolo[4,3-a]pyrimidine
| Molecular Formula | C14H14N4S |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0939 |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 41266-70-0 |
|---|---|
| SMILES | CC1=CC(=NC2=NN=C(N12)SCC3=CC=CC=C3)C |
| InChIKey | GKTOUBDJSOUBHG-UHFFFAOYSA-N |
Product Overview
3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 41266-70-0), with molecular formula C14H14N4S and molecular weight 270.09 g/mol. IUPAC: 3-benzylsulfanyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine.
Chemical Property Profile of 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Property Insights of 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
The XLogP value of 3.7 indicates that 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine. Following Lipinski's Rule of Five, 3-(Benzylsulfanyl)-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-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The CAS number of 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 41266-70-0.
What is the molecular formula of 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular formula of 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is C14H14N4S.
What is the molecular weight of 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular weight of 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 270.09 g/mol.
Where can I buy 3-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
You can request a quote for 3-(Benzylsulfanyl)-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-(Benzylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylsulfanyl)-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.