![3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/7166/7166-87-2.webp)
3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 7166-87-2) is a chemical compound with molecular formula C18H14F3N5O4S and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(Difluoromethyl)-4-[({3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H14F3N5O4S |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 4.39539 |
| Topological Polar Surface Area | 107.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.07187 |
| Heavy Atoms | 31 |
| Complexity | 1195.1786 |
Chemical Identifiers
| CAS Number | 7166-87-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COC3=C(C=CC(=C3)F)[N+](=O)[O-] |
Product Overview
3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 7166-87-2), with molecular formula C18H14F3N5O4S and molecular weight 453.07 g/mol. IUPAC: 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.39539 indicates that 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)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 107.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 7 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-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is 7166-87-2.
What is the molecular formula of 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is C18H14F3N5O4S.
What is the molecular weight of 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is 453.07 g/mol.
Where can I buy 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)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-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(difluoromethyl)-4-[[3-[(5-fluoro-2-nitrophenoxy)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.