(2-Methoxy-5-methylphenyl)acetonitrile
TL;DR: (2-Methoxy-5-methylphenyl)acetonitrile (CAS 7048-42-2) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxy-5-methylphenyl)acetonitrile
Also Known As: 2-(2-methoxy-5-methylphenyl)acetonitrile, (2-methoxy-5-methylphenyl)acetonitrile, ACETONITRILE, (2-methoxy-5-methylphenyl)-acetonitrile, 2-(Carboxymethylthio)-4-methylpyrimidine
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 2.0697 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 312.1049 |
Chemical Identifiers
| CAS Number | 7048-42-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)CC#N |
Product Overview
(2-Methoxy-5-methylphenyl)acetonitrile (CAS 7048-42-2), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 2-(2-methoxy-5-methylphenyl)acetonitrile.
Chemical Property Profile of (2-Methoxy-5-methylphenyl)acetonitrile
Property Insights of (2-Methoxy-5-methylphenyl)acetonitrile
The XLogP value of 2.0697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methoxy-5-methylphenyl)acetonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, (2-Methoxy-5-methylphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methoxy-5-methylphenyl)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-Methoxy-5-methylphenyl)acetonitrile?
The CAS number of (2-Methoxy-5-methylphenyl)acetonitrile is 7048-42-2.
What is the molecular formula of (2-Methoxy-5-methylphenyl)acetonitrile?
The molecular formula of (2-Methoxy-5-methylphenyl)acetonitrile is C10H11NO.
What is the molecular weight of (2-Methoxy-5-methylphenyl)acetonitrile?
The molecular weight of (2-Methoxy-5-methylphenyl)acetonitrile is 161.08 g/mol.
Where can I buy (2-Methoxy-5-methylphenyl)acetonitrile?
You can request a quote for (2-Methoxy-5-methylphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methoxy-5-methylphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2-Methoxy-5-methylphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.