Benzonitrile, 4-(1-naphthalenyl)-
TL;DR: Benzonitrile, 4-(1-naphthalenyl)- (CAS 27331-37-9) is a chemical compound with molecular formula C17H11N and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-naphthalen-1-ylbenzonitrile
Also Known As: 4-(Naphthalen-1-yl)benzonitrile, 4-(1-naphthyl)benzonitrile, benzonitrile, 4-(1-naphthalenyl)-, 1-(4-Cyanophenyl)naphthalene, 4-naphthalen-1-ylbenzonitrile
| Molecular Formula | C17H11N |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.08914 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 27331-37-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)C#N |
| InChIKey | MDQFZPMHRMBGBO-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(1-naphthalenyl)- (CAS 27331-37-9), with molecular formula C17H11N and molecular weight 229.09 g/mol. IUPAC: 4-naphthalen-1-ylbenzonitrile.
Chemical Property Profile of Benzonitrile, 4-(1-naphthalenyl)-
Property Insights of Benzonitrile, 4-(1-naphthalenyl)-
The XLogP value of 4.5 indicates that Benzonitrile, 4-(1-naphthalenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Benzonitrile, 4-(1-naphthalenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(1-naphthalenyl)- 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 Benzonitrile, 4-(1-naphthalenyl)-?
The CAS number of Benzonitrile, 4-(1-naphthalenyl)- is 27331-37-9.
What is the molecular formula of Benzonitrile, 4-(1-naphthalenyl)-?
The molecular formula of Benzonitrile, 4-(1-naphthalenyl)- is C17H11N.
What is the molecular weight of Benzonitrile, 4-(1-naphthalenyl)-?
The molecular weight of Benzonitrile, 4-(1-naphthalenyl)- is 229.09 g/mol.
Where can I buy Benzonitrile, 4-(1-naphthalenyl)-?
You can request a quote for Benzonitrile, 4-(1-naphthalenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(1-naphthalenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(1-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.