(2-Methoxyphenyl)acetonitrile
TL;DR: (2-Methoxyphenyl)acetonitrile (CAS 7035-03-2) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxyphenyl)acetonitrile
Also Known As: 2-Methoxyphenylacetonitrile, (2-Methoxyphenyl)acetonitrile, 2-(2-methoxyphenyl)acetonitrile, 2-Methoxybenzyl cyanide, Benzeneacetonitrile, 2-methoxy-
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 7035-03-2 |
|---|---|
| SMILES | COC1=CC=CC=C1CC#N |
| InChIKey | DWJKILXTMUGXOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Methoxyphenyl)acetonitrile (CAS 7035-03-2), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-(2-methoxyphenyl)acetonitrile.
Chemical Property Profile of (2-Methoxyphenyl)acetonitrile
Property Insights of (2-Methoxyphenyl)acetonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, (2-Methoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methoxyphenyl)acetonitrile has 0 hydrogen bond donor(s) and 2 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-Methoxyphenyl)acetonitrile?
The CAS number of (2-Methoxyphenyl)acetonitrile is 7035-03-2.
What is the molecular formula of (2-Methoxyphenyl)acetonitrile?
The molecular formula of (2-Methoxyphenyl)acetonitrile is C9H9NO.
What is the molecular weight of (2-Methoxyphenyl)acetonitrile?
The molecular weight of (2-Methoxyphenyl)acetonitrile is 147.07 g/mol.
Where can I buy (2-Methoxyphenyl)acetonitrile?
You can request a quote for (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-Methoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2-Methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.