![3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol structure](/static/products/613/613250-04-7.png)
3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
TL;DR: 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol (CAS 613250-04-7) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-3-(((3-(4-ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, 3-(4-ethoxyphenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 3.59419 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 912.84 |
Chemical Identifiers
| CAS Number | 613250-04-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)O |
Product Overview
3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol (CAS 613250-04-7), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: 3-(4-ethoxyphenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
Property Insights of 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
The XLogP value of 3.59419 indicates that 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-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 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol. Following Lipinski's Rule of Five, 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-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 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol?
The CAS number of 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol is 613250-04-7.
What is the molecular formula of 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol?
The molecular formula of 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol is C17H16N4O2S.
What is the molecular weight of 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol?
The molecular weight of 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol is 340.10 g/mol.
Where can I buy 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol?
You can request a quote for 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-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 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-[(E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.