4-(6-Pentylnaphthalen-2-yl)benzonitrile
TL;DR: 4-(6-Pentylnaphthalen-2-yl)benzonitrile (CAS 87633-73-6) is a chemical compound with molecular formula C22H21N and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-pentylnaphthalen-2-yl)benzonitrile
Also Known As: 4-(6-Pentylnaphthalen-2-yl)benzonitrile, 4-(6-Pentyl-2-naphthyl)benzonitrile, 4-(6-Pentyl-2-naphthyl)benzonitrile #, Benzonitrile,4-(6-pentyl-2-naphthalenyl), 4-(6-Pentyl-naphthalen-2-yl)-benzonitrile
| Molecular Formula | C22H21N |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.1674 |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 87633-73-6 |
|---|---|
| SMILES | CCCCCC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)C#N |
| InChIKey | OLAPLPWWYKSADH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(6-Pentylnaphthalen-2-yl)benzonitrile (CAS 87633-73-6), with molecular formula C22H21N and molecular weight 299.17 g/mol. IUPAC: 4-(6-pentylnaphthalen-2-yl)benzonitrile.
Chemical Property Profile of 4-(6-Pentylnaphthalen-2-yl)benzonitrile
Property Insights of 4-(6-Pentylnaphthalen-2-yl)benzonitrile
The XLogP value of 6.9 indicates that 4-(6-Pentylnaphthalen-2-yl)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, 4-(6-Pentylnaphthalen-2-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-Pentylnaphthalen-2-yl)benzonitrile 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 4-(6-Pentylnaphthalen-2-yl)benzonitrile?
The CAS number of 4-(6-Pentylnaphthalen-2-yl)benzonitrile is 87633-73-6.
What is the molecular formula of 4-(6-Pentylnaphthalen-2-yl)benzonitrile?
The molecular formula of 4-(6-Pentylnaphthalen-2-yl)benzonitrile is C22H21N.
What is the molecular weight of 4-(6-Pentylnaphthalen-2-yl)benzonitrile?
The molecular weight of 4-(6-Pentylnaphthalen-2-yl)benzonitrile is 299.17 g/mol.
Where can I buy 4-(6-Pentylnaphthalen-2-yl)benzonitrile?
You can request a quote for 4-(6-Pentylnaphthalen-2-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-Pentylnaphthalen-2-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Pentylnaphthalen-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.