![3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole structure](/static/products/462/462079-66-9.png)
3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole (CAS 462079-66-9) is a chemical compound with molecular formula C30H27N3O2S and molecular weight 493.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-5-[(2-methyl-3-phenylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole, 3-(3,4-dimethoxyphenyl)-5-[(2-methyl-3-phenyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-(3,4-dimethoxyphenyl)-5-[(2-methyl-3-phenylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-(3,4-dimethoxyphenyl)-5-{[(2-methylbiphenyl-3-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C30H27N3O2S |
|---|---|
| Molecular Weight | 493.18 g/mol |
| LogP | 7.21922 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.1824 |
| Heavy Atoms | 36 |
| Complexity | 1466.8292 |
Chemical Identifiers
| CAS Number | 462079-66-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1C2=CC=CC=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC |
Product Overview
3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole (CAS 462079-66-9), with molecular formula C30H27N3O2S and molecular weight 493.18 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-5-[(2-methyl-3-phenylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 7.21922 indicates that 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole 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 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole is 462079-66-9.
What is the molecular formula of 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole is C30H27N3O2S.
What is the molecular weight of 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole is 493.18 g/mol.
Where can I buy 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-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-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenyl)-5-(((2-methyl-[1,1'-biphenyl]-3-yl)methyl)thio)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.