Benzonitrile, 4-(6-propyl-2-naphthalenyl)-
TL;DR: Benzonitrile, 4-(6-propyl-2-naphthalenyl)- (CAS 87633-71-4) is a chemical compound with molecular formula C20H17N and molecular weight 271.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-propylnaphthalen-2-yl)benzonitrile
Also Known As: 4-(6-Propyl-2-naphthyl)benzonitrile, 4-(6-propylnaphthalen-2-yl)benzonitrile, Benzonitrile, 4-(6-propyl-2-naphthalenyl)-, 4-(6-Propyl-2-naphthyl)benzonitrile #, 4-(6-Propyl-naphthalen-2-yl)-benzonitrile
| Molecular Formula | C20H17N |
|---|---|
| Molecular Weight | 271.14 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.1361 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 87633-71-4 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C#N |
| InChIKey | MPBIEVLUEVMDFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 4-(6-propyl-2-naphthalenyl)- (CAS 87633-71-4), with molecular formula C20H17N and molecular weight 271.14 g/mol. IUPAC: 4-(6-propylnaphthalen-2-yl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(6-propyl-2-naphthalenyl)-
Property Insights of Benzonitrile, 4-(6-propyl-2-naphthalenyl)-
The XLogP value of 5.9 indicates that Benzonitrile, 4-(6-propyl-2-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-(6-propyl-2-naphthalenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(6-propyl-2-naphthalenyl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzonitrile, 4-(6-propyl-2-naphthalenyl)-?
The CAS number of Benzonitrile, 4-(6-propyl-2-naphthalenyl)- is 87633-71-4.
What is the molecular formula of Benzonitrile, 4-(6-propyl-2-naphthalenyl)-?
The molecular formula of Benzonitrile, 4-(6-propyl-2-naphthalenyl)- is C20H17N.
What is the molecular weight of Benzonitrile, 4-(6-propyl-2-naphthalenyl)-?
The molecular weight of Benzonitrile, 4-(6-propyl-2-naphthalenyl)- is 271.14 g/mol.
Where can I buy Benzonitrile, 4-(6-propyl-2-naphthalenyl)-?
You can request a quote for Benzonitrile, 4-(6-propyl-2-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-(6-propyl-2-naphthalenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(6-propyl-2-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.