(2-Fluoro-3,4-dimethoxyphenyl)acetonitrile
TL;DR: (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile (CAS 78495-64-4) is a chemical compound with molecular formula C10H10FNO2 and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluoro-3,4-dimethoxyphenyl)acetonitrile
Also Known As: (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile, 2-(2-fluoro-3,4-dimethoxyphenyl)acetonitrile, 2-Fluoro-3,4-dimethoxyphenylacetonitrile, 2-Fluoro-3,4-dimethoxyphenyl-acetonitrile, Benzylcynide, 2-fluoro-3,4-dimethoxy-
| Molecular Formula | C10H10FNO2 |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.06955 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 78495-64-4 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CC#N)F)OC |
| InChIKey | IKBOOGBGEFEYIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Fluoro-3,4-dimethoxyphenyl)acetonitrile (CAS 78495-64-4), with molecular formula C10H10FNO2 and molecular weight 195.07 g/mol. IUPAC: 2-(2-fluoro-3,4-dimethoxyphenyl)acetonitrile.
Chemical Property Profile of (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile
Property Insights of (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile 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-Fluoro-3,4-dimethoxyphenyl)acetonitrile?
The CAS number of (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile is 78495-64-4.
What is the molecular formula of (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile?
The molecular formula of (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile is C10H10FNO2.
What is the molecular weight of (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile?
The molecular weight of (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile is 195.07 g/mol.
Where can I buy (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile?
You can request a quote for (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2-Fluoro-3,4-dimethoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.