![3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine structure](/static/products/3280/328022-07-7.webp)
3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
TL;DR: 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 328022-07-7) is a chemical compound with molecular formula C15H16N4OS and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
Also Known As: BIM-0045938.P001, AB00101584-01, 3-[(4-methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine, 3-((4-methoxybenzyl)thio)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine, 3-[(4-methoxyphenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
| Molecular Formula | C15H16N4OS |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.1045 |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 328022-07-7 |
|---|---|
| SMILES | CC1=CC(=NC2=NN=C(N12)SCC3=CC=C(C=C3)OC)C |
| InChIKey | WUSHEUFRFCVIDE-UHFFFAOYSA-N |
Product Overview
3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine (CAS 328022-07-7), with molecular formula C15H16N4OS and molecular weight 300.10 g/mol. IUPAC: 3-[(4-methoxyphenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine.
Chemical Property Profile of 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Property Insights of 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
The XLogP value of 3.6 indicates that 3-[(4-Methoxybenzyl)sulfanyl]-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 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine. Following Lipinski's Rule of Five, 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[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 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The CAS number of 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 328022-07-7.
What is the molecular formula of 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular formula of 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is C15H16N4OS.
What is the molecular weight of 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular weight of 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine is 300.10 g/mol.
Where can I buy 3-[(4-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
You can request a quote for 3-[(4-Methoxybenzyl)sulfanyl]-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-Methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methoxybenzyl)sulfanyl]-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.