![4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile structure](/static/products/7447/74471-09-3.webp)
4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile
TL;DR: 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile (CAS 74471-09-3) is a chemical compound with molecular formula C18H23N and molecular weight 253.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-propyl-1-bicyclo[2.2.2]octanyl)benzonitrile
Also Known As: ChemDiv3_000372, 4-(4-propylbicyclo[2.2.2]oct-1-yl)benzonitrile, 4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzonitrile, 4-(4-propyl-1-bicyclo[2.2.2]octanyl)benzonitrile, 4-(4-Propylbicyclo[2.2.2]octan-1-yl)benzonitrile
| Molecular Formula | C18H23N |
|---|---|
| Molecular Weight | 253.18 g/mol |
| LogP | 4.95038 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.18304 |
| Heavy Atoms | 19 |
| Complexity | 466.8874 |
Chemical Identifiers
| CAS Number | 74471-09-3 |
|---|---|
| SMILES | CCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C#N |
Product Overview
4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile (CAS 74471-09-3), with molecular formula C18H23N and molecular weight 253.18 g/mol. IUPAC: 4-(4-propyl-1-bicyclo[2.2.2]octanyl)benzonitrile.
Chemical Property Profile of 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile
Property Insights of 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile
The XLogP value of 4.95038 indicates that 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Propylbicyclo[2.2.2]oct-1-yl)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 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile?
The CAS number of 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile is 74471-09-3.
What is the molecular formula of 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile?
The molecular formula of 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile is C18H23N.
What is the molecular weight of 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile?
The molecular weight of 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile is 253.18 g/mol.
Where can I buy 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile?
You can request a quote for 4-(4-Propylbicyclo[2.2.2]oct-1-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-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Propylbicyclo[2.2.2]oct-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.