2-(1-Naphthalenylmethyl)benzonitrile
TL;DR: 2-(1-Naphthalenylmethyl)benzonitrile (CAS 500554-53-0) is a chemical compound with molecular formula C18H13N and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(naphthalen-1-ylmethyl)benzonitrile
Also Known As: 2-(1-Naphthalenylmethyl)benzonitrile, 2-(naphthalen-1-ylmethyl)benzonitrile, 2-[(Naphthalen-1-yl)methyl]benzonitrile
| Molecular Formula | C18H13N |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.1048 |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 500554-53-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CC3=CC=CC=C3C#N |
| InChIKey | LICJKVJVOZYRAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Naphthalenylmethyl)benzonitrile (CAS 500554-53-0), with molecular formula C18H13N and molecular weight 243.10 g/mol. IUPAC: 2-(naphthalen-1-ylmethyl)benzonitrile.
Chemical Property Profile of 2-(1-Naphthalenylmethyl)benzonitrile
Property Insights of 2-(1-Naphthalenylmethyl)benzonitrile
The XLogP value of 4.8 indicates that 2-(1-Naphthalenylmethyl)benzonitrile 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-(1-Naphthalenylmethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Naphthalenylmethyl)benzonitrile 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-(1-Naphthalenylmethyl)benzonitrile?
The CAS number of 2-(1-Naphthalenylmethyl)benzonitrile is 500554-53-0.
What is the molecular formula of 2-(1-Naphthalenylmethyl)benzonitrile?
The molecular formula of 2-(1-Naphthalenylmethyl)benzonitrile is C18H13N.
What is the molecular weight of 2-(1-Naphthalenylmethyl)benzonitrile?
The molecular weight of 2-(1-Naphthalenylmethyl)benzonitrile is 243.10 g/mol.
Where can I buy 2-(1-Naphthalenylmethyl)benzonitrile?
You can request a quote for 2-(1-Naphthalenylmethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Naphthalenylmethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Naphthalenylmethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.