2-Methyl-1-naphthonitrile
TL;DR: 2-Methyl-1-naphthonitrile (CAS 21055-88-9) is a chemical compound with molecular formula C12H9N and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylnaphthalene-1-carbonitrile
Also Known As: 2-methylnaphthalene-1-carbonitrile, 1-Cyano-2-methylnaphthalene, 2-methyl-1-naphthonitrile, methylcyanonaphthalene, METHYLNAPHTHALENECARBONITRILE
| Molecular Formula | C12H9N |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.0735 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 21055-88-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C=C1)C#N |
| InChIKey | MSGUYMCVLYTSNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1-naphthonitrile (CAS 21055-88-9), with molecular formula C12H9N and molecular weight 167.07 g/mol. IUPAC: 2-methylnaphthalene-1-carbonitrile.
Chemical Property Profile of 2-Methyl-1-naphthonitrile
Property Insights of 2-Methyl-1-naphthonitrile
The XLogP value of 3.3 indicates that 2-Methyl-1-naphthonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Methyl-1-naphthonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-naphthonitrile has 0 hydrogen bond donor(s) and 1 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-Methyl-1-naphthonitrile?
The CAS number of 2-Methyl-1-naphthonitrile is 21055-88-9.
What is the molecular formula of 2-Methyl-1-naphthonitrile?
The molecular formula of 2-Methyl-1-naphthonitrile is C12H9N.
What is the molecular weight of 2-Methyl-1-naphthonitrile?
The molecular weight of 2-Methyl-1-naphthonitrile is 167.07 g/mol.
Where can I buy 2-Methyl-1-naphthonitrile?
You can request a quote for 2-Methyl-1-naphthonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-naphthonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-naphthonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.