![3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol structure](/static/products/3049/304907-50-4.webp)
3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
TL;DR: 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol (CAS 304907-50-4) is a chemical compound with molecular formula C11H12N4O and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
Also Known As: 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol, BAS 00898207, 3-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol, 3-[(3,5-Dimethyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol, (E)-3-(((3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino)methyl)phenol
| Molecular Formula | C11H12N4O |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 1.48274 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.1011 |
| Heavy Atoms | 16 |
| Complexity | 511.03088 |
Chemical Identifiers
| CAS Number | 304907-50-4 |
|---|---|
| SMILES | CC1=NN=C(N1/N=C/C2=CC(=CC=C2)O)C |
Product Overview
3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol (CAS 304907-50-4), with molecular formula C11H12N4O and molecular weight 216.10 g/mol. IUPAC: 3-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol.
Chemical Property Profile of 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Property Insights of 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
The XLogP value of 1.48274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol. Following Lipinski's Rule of Five, 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol has 1 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 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol?
The CAS number of 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol is 304907-50-4.
What is the molecular formula of 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol?
The molecular formula of 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol is C11H12N4O.
What is the molecular weight of 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol?
The molecular weight of 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol is 216.10 g/mol.
Where can I buy 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol?
You can request a quote for 3-{[(3,5-dimethyl-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-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.