2,5-Dimethyl-4-(octyloxy)benzonitrile
TL;DR: 2,5-Dimethyl-4-(octyloxy)benzonitrile (CAS 496965-25-4) is a chemical compound with molecular formula C17H25NO and molecular weight 259.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-4-octoxybenzonitrile
Also Known As: 2,5-dimethyl-4-octoxybenzonitrile, 2,5-dimethyl-4-(octyloxy)benzonitrile, benzonitrile, 2,5-dimethyl-4-(octyloxy)-, AO-289/15480100, InChI=1/C17H25NO/c1-4-5-6-7-8-9-10-19-17-12-14(2)16(13-18)11-15(17)3/h11-12H,4-10H2,1-3H
| Molecular Formula | C17H25NO |
|---|---|
| Molecular Weight | 259.19 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 259.1936 |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 496965-25-4 |
|---|---|
| SMILES | CCCCCCCCOC1=CC(=C(C=C1C)C#N)C |
| InChIKey | INFYADHPQIWNPZ-UHFFFAOYSA-N |
Product Overview
2,5-Dimethyl-4-(octyloxy)benzonitrile (CAS 496965-25-4), with molecular formula C17H25NO and molecular weight 259.19 g/mol. IUPAC: 2,5-dimethyl-4-octoxybenzonitrile.
Chemical Property Profile of 2,5-Dimethyl-4-(octyloxy)benzonitrile
Property Insights of 2,5-Dimethyl-4-(octyloxy)benzonitrile
The XLogP value of 5.8 indicates that 2,5-Dimethyl-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, 2,5-Dimethyl-4-(octyloxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-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 2,5-Dimethyl-4-(octyloxy)benzonitrile?
The CAS number of 2,5-Dimethyl-4-(octyloxy)benzonitrile is 496965-25-4.
What is the molecular formula of 2,5-Dimethyl-4-(octyloxy)benzonitrile?
The molecular formula of 2,5-Dimethyl-4-(octyloxy)benzonitrile is C17H25NO.
What is the molecular weight of 2,5-Dimethyl-4-(octyloxy)benzonitrile?
The molecular weight of 2,5-Dimethyl-4-(octyloxy)benzonitrile is 259.19 g/mol.
Where can I buy 2,5-Dimethyl-4-(octyloxy)benzonitrile?
You can request a quote for 2,5-Dimethyl-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 2,5-Dimethyl-4-(octyloxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-4-(octyloxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.