7-Methyl-2-naphthalenecarbonitrile
TL;DR: 7-Methyl-2-naphthalenecarbonitrile (CAS 38879-96-8) 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.
7-methylnaphthalene-2-carbonitrile
Also Known As: 2-Cyano-7-methylnaphthalene, 7-methylnaphthalene-2-carbonitrile, 7-METHYL-2-NAPHTHONITRILE, 7-methyl-2-naphthalenecarbonitrile, 2-Naphthalenecarbonitrile, 7-methyl-
| Molecular Formula | C12H9N |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 3.0199 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.0735 |
| Heavy Atoms | 13 |
| Complexity | 491.94092 |
Chemical Identifiers
| CAS Number | 38879-96-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=CC(=C2)C#N |
Product Overview
7-Methyl-2-naphthalenecarbonitrile (CAS 38879-96-8), with molecular formula C12H9N and molecular weight 167.07 g/mol. IUPAC: 7-methylnaphthalene-2-carbonitrile.
Chemical Property Profile of 7-Methyl-2-naphthalenecarbonitrile
Property Insights of 7-Methyl-2-naphthalenecarbonitrile
The XLogP value of 3.0199 indicates that 7-Methyl-2-naphthalenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 7-Methyl-2-naphthalenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-2-naphthalenecarbonitrile 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 7-Methyl-2-naphthalenecarbonitrile?
The CAS number of 7-Methyl-2-naphthalenecarbonitrile is 38879-96-8.
What is the molecular formula of 7-Methyl-2-naphthalenecarbonitrile?
The molecular formula of 7-Methyl-2-naphthalenecarbonitrile is C12H9N.
What is the molecular weight of 7-Methyl-2-naphthalenecarbonitrile?
The molecular weight of 7-Methyl-2-naphthalenecarbonitrile is 167.07 g/mol.
Where can I buy 7-Methyl-2-naphthalenecarbonitrile?
You can request a quote for 7-Methyl-2-naphthalenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-2-naphthalenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-2-naphthalenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.