4-Methoxyphenoxyacetonitrile
TL;DR: 4-Methoxyphenoxyacetonitrile (CAS 22593-96-0) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenoxy)acetonitrile
Also Known As: 4-Methoxyphenoxyacetonitrile, 2-(4-methoxyphenoxy)acetonitrile, (4-Methoxyphenoxy)acetonitrile, p-methoxy-phenoxyacetonitrile, Acetonitrile, (4-methoxyphenoxy)-
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 22593-96-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC#N |
| InChIKey | SNADCCRKYFVIEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxyphenoxyacetonitrile (CAS 22593-96-0), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 2-(4-methoxyphenoxy)acetonitrile.
Chemical Property Profile of 4-Methoxyphenoxyacetonitrile
Property Insights of 4-Methoxyphenoxyacetonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxyphenoxyacetonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 4-Methoxyphenoxyacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyphenoxyacetonitrile 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 4-Methoxyphenoxyacetonitrile?
The CAS number of 4-Methoxyphenoxyacetonitrile is 22593-96-0.
What is the molecular formula of 4-Methoxyphenoxyacetonitrile?
The molecular formula of 4-Methoxyphenoxyacetonitrile is C9H9NO2.
What is the molecular weight of 4-Methoxyphenoxyacetonitrile?
The molecular weight of 4-Methoxyphenoxyacetonitrile is 163.06 g/mol.
Where can I buy 4-Methoxyphenoxyacetonitrile?
You can request a quote for 4-Methoxyphenoxyacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxyphenoxyacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenoxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.