2-Methoxy-6-methylbenzonitrile
TL;DR: 2-Methoxy-6-methylbenzonitrile (CAS 53005-44-0) 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-methoxy-6-methylbenzonitrile
Also Known As: 2-Methoxy-6-methylbenzonitrile, 2-methyl-6-methoxybenzonitrile, Benzonitrile, 2-methoxy-6-methyl-, 2-CYANO-3-METHYLANISOLE, 2-methoxy-6-methyl-benzonitrile
| 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 | 1 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 53005-44-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC)C#N |
| InChIKey | ZZZIUEZLZGDVBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxy-6-methylbenzonitrile (CAS 53005-44-0), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-methoxy-6-methylbenzonitrile.
Chemical Property Profile of 2-Methoxy-6-methylbenzonitrile
Property Insights of 2-Methoxy-6-methylbenzonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-6-methylbenzonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-Methoxy-6-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-6-methylbenzonitrile 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-6-methylbenzonitrile?
The CAS number of 2-Methoxy-6-methylbenzonitrile is 53005-44-0.
What is the molecular formula of 2-Methoxy-6-methylbenzonitrile?
The molecular formula of 2-Methoxy-6-methylbenzonitrile is C9H9NO.
What is the molecular weight of 2-Methoxy-6-methylbenzonitrile?
The molecular weight of 2-Methoxy-6-methylbenzonitrile is 147.07 g/mol.
Where can I buy 2-Methoxy-6-methylbenzonitrile?
You can request a quote for 2-Methoxy-6-methylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-6-methylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-6-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.