4-(Octyloxy)benzonitrile
TL;DR: 4-(Octyloxy)benzonitrile (CAS 88374-55-4) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octoxybenzonitrile
Also Known As: 4-n-Octyloxybenzonitrile, p-Octyloxybenzonitrile, 4-(Octyloxy)benzonitrile, 4-octoxybenzonitrile, 4-Octyloxybenzonitrile
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 88374-55-4 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C#N |
| InChIKey | GFNSBTARZPEIPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Octyloxy)benzonitrile (CAS 88374-55-4), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 4-octoxybenzonitrile.
Chemical Property Profile of 4-(Octyloxy)benzonitrile
Property Insights of 4-(Octyloxy)benzonitrile
The XLogP value of 5.2 indicates that 4-(Octyloxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 4-(Octyloxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Octyloxy)benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Octyloxy)benzonitrile?
The CAS number of 4-(Octyloxy)benzonitrile is 88374-55-4.
What is the molecular formula of 4-(Octyloxy)benzonitrile?
The molecular formula of 4-(Octyloxy)benzonitrile is C15H21NO.
What is the molecular weight of 4-(Octyloxy)benzonitrile?
The molecular weight of 4-(Octyloxy)benzonitrile is 231.16 g/mol.
Where can I buy 4-(Octyloxy)benzonitrile?
You can request a quote for 4-(Octyloxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Octyloxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Octyloxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.