3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
TL;DR: 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole (CAS 14803-87-3) is a chemical compound with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
Also Known As: 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole, 3-(METHYLSULFANYL)-5-(3,4,5-TRIMETHOXYPHENYL)-1H-1,2,4-TRIAZOLE
| Molecular Formula | C12H15N3O3S |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.0834 |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 14803-87-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NC(=NN2)SC |
| InChIKey | OOYWTMWJYNZXOD-UHFFFAOYSA-N |
Product Overview
3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole (CAS 14803-87-3), with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol. IUPAC: 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
Property Insights of 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 6 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-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole?
The CAS number of 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole is 14803-87-3.
What is the molecular formula of 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole?
The molecular formula of 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole is C12H15N3O3S.
What is the molecular weight of 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole?
The molecular weight of 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole is 281.08 g/mol.
Where can I buy 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole?
You can request a quote for 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.