![5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine structure](/static/products/3280/328022-02-2.webp)
5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine
TL;DR: 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine (CAS 328022-02-2) is a chemical compound with molecular formula C20H18N4OS and molecular weight 362.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-3-[(3-phenoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrimidine
Also Known As: BAS 01152554, BIM-0038005.P001, 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine, 5,7-dimethyl-3-((3-phenoxybenzyl)thio)-[1,2,4]triazolo[4,3-a]pyrimidine, 3-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}phenyl phenyl ether
| Molecular Formula | C20H18N4OS |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | 4.82574 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.12012 |
| Heavy Atoms | 26 |
| Complexity | 1046.3121 |
Chemical Identifiers
| CAS Number | 328022-02-2 |
|---|---|
| SMILES | CC1=CC(=NC2=NN=C(N12)SCC3=CC(=CC=C3)OC4=CC=CC=C4)C |
Product Overview
5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine (CAS 328022-02-2), with molecular formula C20H18N4OS and molecular weight 362.12 g/mol. IUPAC: 5,7-dimethyl-3-[(3-phenoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrimidine.
Chemical Property Profile of 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine
Property Insights of 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine
The XLogP value of 4.82574 indicates that 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[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 52.31 Ų, 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine 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 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The CAS number of 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine is 328022-02-2.
What is the molecular formula of 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular formula of 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine is C20H18N4OS.
What is the molecular weight of 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular weight of 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine is 362.12 g/mol.
Where can I buy 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
You can request a quote for 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[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 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethyl-3-(3-phenoxy-benzylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.