4-(Heptyloxy)benzonitrile
TL;DR: 4-(Heptyloxy)benzonitrile (CAS 29147-88-4) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-heptoxybenzonitrile
Also Known As: 4-N-heptyloxybenzonitrile, 4-(heptyloxy)benzonitrile, 4-heptoxybenzonitrile, Benzonitrile, 4-(heptyloxy)-, 4-Bromo-2-phenylypridine
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 3.90748 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 323.58374 |
Chemical Identifiers
| CAS Number | 29147-88-4 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)C#N |
Product Overview
4-(Heptyloxy)benzonitrile (CAS 29147-88-4), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 4-heptoxybenzonitrile.
Chemical Property Profile of 4-(Heptyloxy)benzonitrile
Property Insights of 4-(Heptyloxy)benzonitrile
The XLogP value of 3.90748 indicates that 4-(Heptyloxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 4-(Heptyloxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Heptyloxy)benzonitrile has 0 hydrogen bond donor(s) and 2 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-(Heptyloxy)benzonitrile?
The CAS number of 4-(Heptyloxy)benzonitrile is 29147-88-4.
What is the molecular formula of 4-(Heptyloxy)benzonitrile?
The molecular formula of 4-(Heptyloxy)benzonitrile is C14H19NO.
What is the molecular weight of 4-(Heptyloxy)benzonitrile?
The molecular weight of 4-(Heptyloxy)benzonitrile is 217.15 g/mol.
Where can I buy 4-(Heptyloxy)benzonitrile?
You can request a quote for 4-(Heptyloxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Heptyloxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Heptyloxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.