3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
TL;DR: 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol (CAS 497920-45-3) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, (E)-3-(((3-mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, 3-((E)-{[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol, 4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 3.20409 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 914.1937 |
Chemical Identifiers
| CAS Number | 497920-45-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)O |
Product Overview
3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol (CAS 497920-45-3), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: 4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
Property Insights of 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
The XLogP value of 3.20409 indicates that 3-(((3-Mercapto-5-(3-methoxyphenyl)-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-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol. Following Lipinski's Rule of Five, 3-(((3-Mercapto-5-(3-methoxyphenyl)-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-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The CAS number of 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is 497920-45-3.
What is the molecular formula of 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The molecular formula of 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is C16H14N4O2S.
What is the molecular weight of 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The molecular weight of 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is 326.08 g/mol.
Where can I buy 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
You can request a quote for 3-(((3-Mercapto-5-(3-methoxyphenyl)-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-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(((3-Mercapto-5-(3-methoxyphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.