![2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile structure](/static/products/866/866157-63-3.png)
2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile
TL;DR: 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile (CAS 866157-63-3) is a chemical compound with molecular formula C17H14FN5 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluoro-5-methylanilino)-2-[4-(1,2,4-triazol-1-yl)phenyl]acetonitrile
Also Known As: 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile, 2-[(2-fluoro-5-methylphenyl)amino]-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile, 2-(2-fluoro-5-methylanilino)-2-[4-(1,2,4-triazol-1-yl)phenyl]acetonitrile, 2-(2-fluoro-5-methyl-anilino)-2-[4-(1,2,4-triazol-1-yl)phenyl]acetonitrile
| Molecular Formula | C17H14FN5 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 3.3916 |
| Topological Polar Surface Area | 66.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.12332 |
| Heavy Atoms | 23 |
| Complexity | 834.42035 |
Chemical Identifiers
| CAS Number | 866157-63-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)F)NC(C#N)C2=CC=C(C=C2)N3C=NC=N3 |
Product Overview
2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile (CAS 866157-63-3), with molecular formula C17H14FN5 and molecular weight 307.12 g/mol. IUPAC: 2-(2-fluoro-5-methylanilino)-2-[4-(1,2,4-triazol-1-yl)phenyl]acetonitrile.
Chemical Property Profile of 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile
Property Insights of 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile
The XLogP value of 3.3916 indicates that 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile. Following Lipinski's Rule of Five, 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile 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 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile?
The CAS number of 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile is 866157-63-3.
What is the molecular formula of 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile?
The molecular formula of 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile is C17H14FN5.
What is the molecular weight of 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile?
The molecular weight of 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile is 307.12 g/mol.
Where can I buy 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile?
You can request a quote for 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-fluoro-5-methylanilino)-2-[4-(1H-1,2,4-triazol-1-yl)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.