4-Hexyloxynaphthalene-1-carbonitrile
TL;DR: 4-Hexyloxynaphthalene-1-carbonitrile (CAS 66052-05-9) is a chemical compound with molecular formula C17H19NO and molecular weight 253.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexoxynaphthalene-1-carbonitrile
Also Known As: 4-(Hexyloxy)-1-naphthonitrile, 4-Hexyloxynaphthalene-1-carbonitrile, EINECS 266-090-0, 4-hexyloxy-[1]naphthonitrile, 4-hexoxynaphthalene-1-carbonitrile
| Molecular Formula | C17H19NO |
|---|---|
| Molecular Weight | 253.15 g/mol |
| LogP | 4.67058 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.14667 |
| Heavy Atoms | 19 |
| Complexity | 583.322 |
Chemical Identifiers
| CAS Number | 66052-05-9 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C2=CC=CC=C21)C#N |
Product Overview
4-Hexyloxynaphthalene-1-carbonitrile (CAS 66052-05-9), with molecular formula C17H19NO and molecular weight 253.15 g/mol. IUPAC: 4-hexoxynaphthalene-1-carbonitrile.
Chemical Property Profile of 4-Hexyloxynaphthalene-1-carbonitrile
Property Insights of 4-Hexyloxynaphthalene-1-carbonitrile
The XLogP value of 4.67058 indicates that 4-Hexyloxynaphthalene-1-carbonitrile 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-Hexyloxynaphthalene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexyloxynaphthalene-1-carbonitrile 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-Hexyloxynaphthalene-1-carbonitrile?
The CAS number of 4-Hexyloxynaphthalene-1-carbonitrile is 66052-05-9.
What is the molecular formula of 4-Hexyloxynaphthalene-1-carbonitrile?
The molecular formula of 4-Hexyloxynaphthalene-1-carbonitrile is C17H19NO.
What is the molecular weight of 4-Hexyloxynaphthalene-1-carbonitrile?
The molecular weight of 4-Hexyloxynaphthalene-1-carbonitrile is 253.15 g/mol.
Where can I buy 4-Hexyloxynaphthalene-1-carbonitrile?
You can request a quote for 4-Hexyloxynaphthalene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexyloxynaphthalene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexyloxynaphthalene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.