3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
TL;DR: 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol (CAS 577983-64-3) 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-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, (E)-3-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, 3-((1E)-2-{5-[3-(methylethoxy)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavin yl)phenol, 4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.98269 |
| 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 | 959.45996 |
Chemical Identifiers
| CAS Number | 577983-64-3 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)O |
Product Overview
3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol (CAS 577983-64-3), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
Property Insights of 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
The XLogP value of 3.98269 indicates that 3-(((3-(3-Isopropoxyphenyl)-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 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol. Following Lipinski's Rule of Five, 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-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-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The CAS number of 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is 577983-64-3.
What is the molecular formula of 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The molecular formula of 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is C18H18N4O2S.
What is the molecular weight of 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The molecular weight of 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is 354.12 g/mol.
Where can I buy 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
You can request a quote for 3-(((3-(3-Isopropoxyphenyl)-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 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(((3-(3-Isopropoxyphenyl)-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.