Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)-
TL;DR: Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)- (CAS 207288-29-7) is a chemical compound with molecular formula C18H12N4O and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-benzofuran-2-yl(1,2,4-triazol-1-yl)methyl]benzonitrile
Also Known As: 4-amino-3'-methoxybiphenyl, MEN 11066, (+)-MEN-11623, Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)-, J1.923.092I
| Molecular Formula | C18H12N4O |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.53368 |
| Topological Polar Surface Area | 67.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.1011 |
| Heavy Atoms | 23 |
| Complexity | 944.9738 |
Chemical Identifiers
| CAS Number | 207288-29-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(C3=CC=C(C=C3)C#N)N4C=NC=N4 |
Product Overview
Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)- (CAS 207288-29-7), with molecular formula C18H12N4O and molecular weight 300.10 g/mol. IUPAC: 4-[1-benzofuran-2-yl(1,2,4-triazol-1-yl)methyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)-
Property Insights of Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)-
The XLogP value of 3.53368 indicates that Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)-. Following Lipinski's Rule of Five, Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)- 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 Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)-?
The CAS number of Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)- is 207288-29-7.
What is the molecular formula of Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)-?
The molecular formula of Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)- is C18H12N4O.
What is the molecular weight of Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)-?
The molecular weight of Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)- is 300.10 g/mol.
Where can I buy Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)-?
You can request a quote for Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(2-benzofuranyl-1H-1,2,4-triazol-1-ylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.