(E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
TL;DR: (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol (CAS 487035-44-9) is a chemical compound with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, 3-((E)-{[3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl]imino}methyl)phenol, 3-{(1E)-2-[5-(3,4-dimethoxyphenyl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl} phenol, 3-(3,4-dimethoxyphenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(3,4-dimethoxyphenyl)-4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H16N4O3S |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 3.21269 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.0943 |
| Heavy Atoms | 25 |
| Complexity | 978.0195 |
Chemical Identifiers
| CAS Number | 487035-44-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)O)OC |
Product Overview
(E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol (CAS 487035-44-9), with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-4-[(E)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
Property Insights of (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
The XLogP value of 3.21269 indicates that (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-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 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol. Following Lipinski's Rule of Five, (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol has 2 hydrogen bond donor(s) and 6 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 (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol?
The CAS number of (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol is 487035-44-9.
What is the molecular formula of (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol?
The molecular formula of (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol is C17H16N4O3S.
What is the molecular weight of (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol?
The molecular weight of (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol is 356.09 g/mol.
Where can I buy (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol?
You can request a quote for (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-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 (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(((3-(3,4-dimethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.