2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
TL;DR: 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol (CAS 380455-65-2) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: UPCMLD0ENAT0508-1869:001, 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.90261 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 957.9526 |
Chemical Identifiers
| CAS Number | 380455-65-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1O)C=NN2C(=NNC2=S)C3=CC=C(C=C3)C |
Product Overview
2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol (CAS 380455-65-2), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
Property Insights of 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
The XLogP value of 3.90261 indicates that 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol. Following Lipinski's Rule of Five, 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol has 2 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 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol?
The CAS number of 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol is 380455-65-2.
What is the molecular formula of 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol?
The molecular formula of 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol is C18H18N4O2S.
What is the molecular weight of 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol?
The molecular weight of 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol is 354.12 g/mol.
Where can I buy 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol?
You can request a quote for 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-ethoxy-6-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.