4-(4-Heptoxy-3-nitrophenyl)benzonitrile
TL;DR: 4-(4-Heptoxy-3-nitrophenyl)benzonitrile (CAS 372174-48-6) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-heptoxy-3-nitrophenyl)benzonitrile
Also Known As: 4-(4-heptoxy-3-nitrophenyl)benzonitrile, 4-(4-heptoxy-3-nitro-phenyl)benzonitrile
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 5.48268 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 748.52686 |
Chemical Identifiers
| CAS Number | 372174-48-6 |
|---|---|
| SMILES | CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
4-(4-Heptoxy-3-nitrophenyl)benzonitrile (CAS 372174-48-6), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: 4-(4-heptoxy-3-nitrophenyl)benzonitrile.
Chemical Property Profile of 4-(4-Heptoxy-3-nitrophenyl)benzonitrile
Property Insights of 4-(4-Heptoxy-3-nitrophenyl)benzonitrile
The XLogP value of 5.48268 indicates that 4-(4-Heptoxy-3-nitrophenyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Heptoxy-3-nitrophenyl)benzonitrile. Following Lipinski's Rule of Five, 4-(4-Heptoxy-3-nitrophenyl)benzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Heptoxy-3-nitrophenyl)benzonitrile?
The CAS number of 4-(4-Heptoxy-3-nitrophenyl)benzonitrile is 372174-48-6.
What is the molecular formula of 4-(4-Heptoxy-3-nitrophenyl)benzonitrile?
The molecular formula of 4-(4-Heptoxy-3-nitrophenyl)benzonitrile is C20H22N2O3.
What is the molecular weight of 4-(4-Heptoxy-3-nitrophenyl)benzonitrile?
The molecular weight of 4-(4-Heptoxy-3-nitrophenyl)benzonitrile is 338.16 g/mol.
Where can I buy 4-(4-Heptoxy-3-nitrophenyl)benzonitrile?
You can request a quote for 4-(4-Heptoxy-3-nitrophenyl)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-Heptoxy-3-nitrophenyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Heptoxy-3-nitrophenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.