2-Methoxybenzonitrile
TL;DR: 2-Methoxybenzonitrile (CAS 6609-56-9) is a chemical compound with molecular formula C8H7NO and molecular weight 133.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxybenzonitrile
Also Known As: 2-Methoxybenzonitrile, o-Methoxybenzonitrile, 2-Cyanoanisole, 2-methoxy-benzonitrile, Benzonitrile, 2-methoxy-
| Molecular Formula | C8H7NO |
|---|---|
| Molecular Weight | 133.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.05276 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 6609-56-9 |
|---|---|
| SMILES | COC1=CC=CC=C1C#N |
| InChIKey | FSTPMFASNVISBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxybenzonitrile (CAS 6609-56-9), with molecular formula C8H7NO and molecular weight 133.05 g/mol. IUPAC: 2-methoxybenzonitrile.
Chemical Property Profile of 2-Methoxybenzonitrile
Property Insights of 2-Methoxybenzonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxybenzonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-Methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxybenzonitrile 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-Methoxybenzonitrile?
The CAS number of 2-Methoxybenzonitrile is 6609-56-9.
What is the molecular formula of 2-Methoxybenzonitrile?
The molecular formula of 2-Methoxybenzonitrile is C8H7NO.
What is the molecular weight of 2-Methoxybenzonitrile?
The molecular weight of 2-Methoxybenzonitrile is 133.05 g/mol.
Where can I buy 2-Methoxybenzonitrile?
You can request a quote for 2-Methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.