![3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/7167/7167-08-0.webp)
3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 7167-08-0) is a chemical compound with molecular formula C20H20F2N4O2S and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C20H20F2N4O2S |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 4.96493 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.1275 |
| Heavy Atoms | 29 |
| Complexity | 1092.3256 |
Chemical Identifiers
| CAS Number | 7167-08-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OCC2=C(C=CC(=C2)C=NN3C(=NNC3=S)C(F)F)OC |
Product Overview
3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 7167-08-0), with molecular formula C20H20F2N4O2S and molecular weight 418.13 g/mol. IUPAC: 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.96493 indicates that 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione has 1 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-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is 7167-08-0.
What is the molecular formula of 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is C20H20F2N4O2S.
What is the molecular weight of 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is 418.13 g/mol.
Where can I buy 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(difluoromethyl)-4-[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.