![2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol structure](/static/products/248/24829-12-7.png)
2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol
TL;DR: 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol (CAS 24829-12-7) is a chemical compound with molecular formula C9H8N4O and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-1,2,4-triazol-5-yliminomethyl)phenol
Also Known As: TimTec1_004499, 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol, 2-(1H-1,2,4-triazol-5-yliminomethyl)phenol, 2-[(E)-(1H-1,2,4-Triazol-5-ylimino)methyl]phenol, 2-[(1H-1,2,4-triazol-3-ylimino)methyl]phenol
| Molecular Formula | C9H8N4O |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.06981 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 24829-12-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=NC=NN2)O |
| InChIKey | BKYHBHVZLQLDIP-UHFFFAOYSA-N |
Product Overview
2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol (CAS 24829-12-7), with molecular formula C9H8N4O and molecular weight 188.07 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-yliminomethyl)phenol.
Chemical Property Profile of 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol
Property Insights of 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol. Following Lipinski's Rule of Five, 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol has 2 hydrogen bond donor(s) and 4 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-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol?
The CAS number of 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol is 24829-12-7.
What is the molecular formula of 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol?
The molecular formula of 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol is C9H8N4O.
What is the molecular weight of 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol?
The molecular weight of 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol is 188.07 g/mol.
Where can I buy 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol?
You can request a quote for 2-{[(1H-1,2,4-triazol-5-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-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.