![2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile structure](/static/products/3390/339012-94-1.webp)
2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile
TL;DR: 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile (CAS 339012-94-1) is a chemical compound with molecular formula C17H13FN2O2 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyano-(3,4-dimethoxyphenyl)methyl]-6-fluorobenzonitrile
Also Known As: 2-[cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile, 2-(2-cyano-3-fluorophenyl)-2-(3,4-dimethoxyphenyl)acetonitrile, 2-[cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzonitrile, 2-(Cyano(3,4-dimethoxyphenyl)methyl)-6-fluorobenzonitrile, 7K-009
| Molecular Formula | C17H13FN2O2 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.37006 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.0961 |
| Heavy Atoms | 22 |
| Complexity | 775.204 |
Chemical Identifiers
| CAS Number | 339012-94-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C#N)C2=C(C(=CC=C2)F)C#N)OC |
Product Overview
2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile (CAS 339012-94-1), with molecular formula C17H13FN2O2 and molecular weight 296.10 g/mol. IUPAC: 2-[cyano-(3,4-dimethoxyphenyl)methyl]-6-fluorobenzonitrile.
Chemical Property Profile of 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile
Property Insights of 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile
The XLogP value of 3.37006 indicates that 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile. Following Lipinski's Rule of Five, 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile 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 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile?
The CAS number of 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile is 339012-94-1.
What is the molecular formula of 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile?
The molecular formula of 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile is C17H13FN2O2.
What is the molecular weight of 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile?
The molecular weight of 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile is 296.10 g/mol.
Where can I buy 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile?
You can request a quote for 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[Cyano(3,4-dimethoxyphenyl)methyl]-6-fluorobenzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.