2-(5-Fluoro-2-methoxyphenyl)acetonitrile
TL;DR: 2-(5-Fluoro-2-methoxyphenyl)acetonitrile (CAS 501008-41-9) is a chemical compound with molecular formula C9H8FNO and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-fluoro-2-methoxyphenyl)acetonitrile
Also Known As: 2-Methoxy-5-fluorobenzyl cyanide, 2-(5-fluoro-2-methoxyphenyl)acetonitrile, (5-fluoro-2-methoxyphenyl)acetonitrile, 5-FLUORO-2-METHOXYPHENYLACETONITRILE, 2-Methoxy-5-fluorobenzylcyanide
| Molecular Formula | C9H8FNO |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.05899 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 501008-41-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)F)CC#N |
| InChIKey | BHJFTJPFOVONOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(5-Fluoro-2-methoxyphenyl)acetonitrile (CAS 501008-41-9), with molecular formula C9H8FNO and molecular weight 165.06 g/mol. IUPAC: 2-(5-fluoro-2-methoxyphenyl)acetonitrile.
Chemical Property Profile of 2-(5-Fluoro-2-methoxyphenyl)acetonitrile
Property Insights of 2-(5-Fluoro-2-methoxyphenyl)acetonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Fluoro-2-methoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(5-Fluoro-2-methoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Fluoro-2-methoxyphenyl)acetonitrile 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-(5-Fluoro-2-methoxyphenyl)acetonitrile?
The CAS number of 2-(5-Fluoro-2-methoxyphenyl)acetonitrile is 501008-41-9.
What is the molecular formula of 2-(5-Fluoro-2-methoxyphenyl)acetonitrile?
The molecular formula of 2-(5-Fluoro-2-methoxyphenyl)acetonitrile is C9H8FNO.
What is the molecular weight of 2-(5-Fluoro-2-methoxyphenyl)acetonitrile?
The molecular weight of 2-(5-Fluoro-2-methoxyphenyl)acetonitrile is 165.06 g/mol.
Where can I buy 2-(5-Fluoro-2-methoxyphenyl)acetonitrile?
You can request a quote for 2-(5-Fluoro-2-methoxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Fluoro-2-methoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Fluoro-2-methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.