3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole
TL;DR: 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole (CAS 887199-60-2) is a chemical compound with molecular formula C11H9F2N3O2S and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole
Also Known As: 3-(1,3-benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole, (5-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-4-methyl(1,2,4-triazol-3-ylthio))difluor omethane, 3-(1,3-benzodioxol-5-yl)-5-[(difluoromethyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
| Molecular Formula | C11H9F2N3O2S |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 2.5255 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.03836 |
| Heavy Atoms | 19 |
| Complexity | 617.9829 |
Chemical Identifiers
| CAS Number | 887199-60-2 |
|---|---|
| SMILES | CN1C(=NN=C1SC(F)F)C2=CC3=C(C=C2)OCO3 |
Product Overview
3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole (CAS 887199-60-2), with molecular formula C11H9F2N3O2S and molecular weight 285.04 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole
Property Insights of 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole
The XLogP value of 2.5255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole. With a topological polar surface area (TPSA) of 49.17 Ų, 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole 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-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole is 887199-60-2.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole is C11H9F2N3O2S.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole is 285.04 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-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-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-5-(difluoromethylsulfanyl)-4-methyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.