1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile
TL;DR: 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile (CAS 1024154-10-6) is a chemical compound with molecular formula C16H12N4O and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(3-phenoxyphenyl)triazole-4-carbonitrile
Also Known As: 1-methyl-4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile, 3-methyl-5-(3-phenoxyphenyl)triazole-4-carbonitrile, 1-METHYL-4-(3-PHENOXYPHENYL)-1,2,3-TRIAZOLE-5-CARBONITRILE
| Molecular Formula | C16H12N4O |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 3.14608 |
| Topological Polar Surface Area | 63.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.1011 |
| Heavy Atoms | 21 |
| Complexity | 802.64435 |
Chemical Identifiers
| CAS Number | 1024154-10-6 |
|---|---|
| SMILES | CN1C(=C(N=N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C#N |
Product Overview
1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile (CAS 1024154-10-6), with molecular formula C16H12N4O and molecular weight 276.10 g/mol. IUPAC: 3-methyl-5-(3-phenoxyphenyl)triazole-4-carbonitrile.
Chemical Property Profile of 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile
Property Insights of 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile
The XLogP value of 3.14608 indicates that 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile. Following Lipinski's Rule of Five, 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile has 0 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 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile?
The CAS number of 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile is 1024154-10-6.
What is the molecular formula of 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile?
The molecular formula of 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile is C16H12N4O.
What is the molecular weight of 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile?
The molecular weight of 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile is 276.10 g/mol.
Where can I buy 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile?
You can request a quote for 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(3-phenoxyphenyl)-1,2,3-triazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.