2-Fluoro-4,5-dimethoxybenzonitrile
TL;DR: 2-Fluoro-4,5-dimethoxybenzonitrile (CAS 119396-88-2) is a chemical compound with molecular formula C9H8FNO2 and molecular weight 181.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4,5-dimethoxybenzonitrile
Also Known As: 2-fluoro-4,5-dimethoxybenzonitrile, 4,5-Dimethoxy-2-fluorobenzonitrile, 4-Cyano-5-fluoroveratrole, Benzonitrile, 2-fluoro-4,5-dimethoxy-, Benzonitrile,2-fluoro-4,5-dimethoxy-
| Molecular Formula | C9H8FNO2 |
|---|---|
| Molecular Weight | 181.05 g/mol |
| LogP | 1.71458 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.05391 |
| Heavy Atoms | 13 |
| Complexity | 357.3677 |
Chemical Identifiers
| CAS Number | 119396-88-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)F)OC |
Product Overview
2-Fluoro-4,5-dimethoxybenzonitrile (CAS 119396-88-2), with molecular formula C9H8FNO2 and molecular weight 181.05 g/mol. IUPAC: 2-fluoro-4,5-dimethoxybenzonitrile.
Chemical Property Profile of 2-Fluoro-4,5-dimethoxybenzonitrile
Property Insights of 2-Fluoro-4,5-dimethoxybenzonitrile
The XLogP value of 1.71458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4,5-dimethoxybenzonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 2-Fluoro-4,5-dimethoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4,5-dimethoxybenzonitrile has 0 hydrogen bond donor(s) and 3 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-4,5-dimethoxybenzonitrile?
The CAS number of 2-Fluoro-4,5-dimethoxybenzonitrile is 119396-88-2.
What is the molecular formula of 2-Fluoro-4,5-dimethoxybenzonitrile?
The molecular formula of 2-Fluoro-4,5-dimethoxybenzonitrile is C9H8FNO2.
What is the molecular weight of 2-Fluoro-4,5-dimethoxybenzonitrile?
The molecular weight of 2-Fluoro-4,5-dimethoxybenzonitrile is 181.05 g/mol.
Where can I buy 2-Fluoro-4,5-dimethoxybenzonitrile?
You can request a quote for 2-Fluoro-4,5-dimethoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4,5-dimethoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4,5-dimethoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.