2-(4-Methylphenoxy)acetonitrile
TL;DR: 2-(4-Methylphenoxy)acetonitrile (CAS 33901-44-9) 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-(4-methylphenoxy)acetonitrile
Also Known As: 4-Methylphenoxyacetonitrile, 2-(4-methylphenoxy)acetonitrile, p-Tolyloxyacetonitrile, p-Kresoxyacetonitril, 2-(p-tolyloxy)acetonitrile
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 2.0 |
| 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 | 150.0 |
Chemical Identifiers
| CAS Number | 33901-44-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC#N |
| InChIKey | GOCOKJDTFHEYKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methylphenoxy)acetonitrile (CAS 33901-44-9), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-(4-methylphenoxy)acetonitrile.
Chemical Property Profile of 2-(4-Methylphenoxy)acetonitrile
Property Insights of 2-(4-Methylphenoxy)acetonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenoxy)acetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(4-Methylphenoxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenoxy)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-(4-Methylphenoxy)acetonitrile?
The CAS number of 2-(4-Methylphenoxy)acetonitrile is 33901-44-9.
What is the molecular formula of 2-(4-Methylphenoxy)acetonitrile?
The molecular formula of 2-(4-Methylphenoxy)acetonitrile is C9H9NO.
What is the molecular weight of 2-(4-Methylphenoxy)acetonitrile?
The molecular weight of 2-(4-Methylphenoxy)acetonitrile is 147.07 g/mol.
Where can I buy 2-(4-Methylphenoxy)acetonitrile?
You can request a quote for 2-(4-Methylphenoxy)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenoxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenoxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.