5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile
TL;DR: 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile (CAS 39807-65-3) is a chemical compound with molecular formula C10H8N4O and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
Also Known As: 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile, 1-Methylcycloheptanol, 5'-cyanomeridianin G, 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile, 4-(4-Methoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile
| Molecular Formula | C10H8N4O |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 1.35198 |
| Topological Polar Surface Area | 74.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.06981 |
| Heavy Atoms | 15 |
| Complexity | 494.8861 |
Chemical Identifiers
| CAS Number | 39807-65-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNN=C2C#N |
Product Overview
5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile (CAS 39807-65-3), with molecular formula C10H8N4O and molecular weight 200.07 g/mol. IUPAC: 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile.
Chemical Property Profile of 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile
Property Insights of 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile
The XLogP value of 1.35198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile. The TPSA of 74.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile 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 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile?
The CAS number of 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile is 39807-65-3.
What is the molecular formula of 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile?
The molecular formula of 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile is C10H8N4O.
What is the molecular weight of 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile?
The molecular weight of 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile is 200.07 g/mol.
Where can I buy 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile?
You can request a quote for 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxyphenyl)-2H-1,2,3-triazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.