![1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene structure](/static/products/862/862105-79-1.png)
1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene
TL;DR: 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene (CAS 862105-79-1) is a chemical compound with molecular formula C24H21F2N3O2S and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-difluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazole
Also Known As: 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene, 3-((2,6-difluorobenzyl)thio)-4-(4-methoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole, 3-[(2,6-difluorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole, 3-[(2,6-difluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazole
| Molecular Formula | C24H21F2N3O2S |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 5.73382 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.13226 |
| Heavy Atoms | 32 |
| Complexity | 1174.8523 |
Chemical Identifiers
| CAS Number | 862105-79-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=C(C=CC=C4F)F |
Product Overview
1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene (CAS 862105-79-1), with molecular formula C24H21F2N3O2S and molecular weight 453.13 g/mol. IUPAC: 3-[(2,6-difluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazole.
Chemical Property Profile of 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene
Property Insights of 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene
The XLogP value of 5.73382 indicates that 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene?
The CAS number of 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene is 862105-79-1.
What is the molecular formula of 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene?
The molecular formula of 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene is C24H21F2N3O2S.
What is the molecular weight of 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene?
The molecular weight of 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene is 453.13 g/mol.
Where can I buy 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene?
You can request a quote for 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-({5-[(2,6-difluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl) }methoxy)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.