4-Dodecyloxybenzonitrile
TL;DR: 4-Dodecyloxybenzonitrile (CAS 29147-92-0) is a chemical compound with molecular formula C19H29NO and molecular weight 287.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dodecoxybenzonitrile
Also Known As: 4-(dodecyloxy)benzonitrile, 4-dodecoxybenzonitrile, 4-DODECYLOXYBENZONITRILE, 4-n-Dodecyloxybenzonitrile, 4-dodecyloxybenzenecarbonitrile
| Molecular Formula | C19H29NO |
|---|---|
| Molecular Weight | 287.22 g/mol |
| LogP | 5.85798 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 287.2249 |
| Heavy Atoms | 21 |
| Complexity | 391.02252 |
Chemical Identifiers
| CAS Number | 29147-92-0 |
|---|---|
| SMILES | CCCCCCCCCCCCOC1=CC=C(C=C1)C#N |
Product Overview
4-Dodecyloxybenzonitrile (CAS 29147-92-0), with molecular formula C19H29NO and molecular weight 287.22 g/mol. IUPAC: 4-dodecoxybenzonitrile.
Chemical Property Profile of 4-Dodecyloxybenzonitrile
Property Insights of 4-Dodecyloxybenzonitrile
The XLogP value of 5.85798 indicates that 4-Dodecyloxybenzonitrile 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-Dodecyloxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Dodecyloxybenzonitrile 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 4-Dodecyloxybenzonitrile?
The CAS number of 4-Dodecyloxybenzonitrile is 29147-92-0.
What is the molecular formula of 4-Dodecyloxybenzonitrile?
The molecular formula of 4-Dodecyloxybenzonitrile is C19H29NO.
What is the molecular weight of 4-Dodecyloxybenzonitrile?
The molecular weight of 4-Dodecyloxybenzonitrile is 287.22 g/mol.
Where can I buy 4-Dodecyloxybenzonitrile?
You can request a quote for 4-Dodecyloxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dodecyloxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Dodecyloxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.