![Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- structure](/static/products/3626/36268-65-2.webp)
Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
TL;DR: Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (CAS 36268-65-2) is a chemical compound with molecular formula C20H31NO and molecular weight 301.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanenitrile
Also Known As: 4-(2,4-Di-tert-pentylphenoxy)butanenitrile, N-Demethylechitamine, 4- BUTYRONITRILE, 4-(2,4-Di-tert-pentylphenoxy)butyronitrile, 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanenitrile
| Molecular Formula | C20H31NO |
|---|---|
| Molecular Weight | 301.24 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.24057 |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 36268-65-2 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCC#N)C(C)(C)CC |
| InChIKey | JEWCXPGDBLFXNE-UHFFFAOYSA-N |
Product Overview
Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (CAS 36268-65-2), with molecular formula C20H31NO and molecular weight 301.24 g/mol. IUPAC: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanenitrile.
Chemical Property Profile of Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
Property Insights of Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
The XLogP value of 6.4 indicates that Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- 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 Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-?
The CAS number of Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- is 36268-65-2.
What is the molecular formula of Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-?
The molecular formula of Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- is C20H31NO.
What is the molecular weight of Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-?
The molecular weight of Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- is 301.24 g/mol.
Where can I buy Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-?
You can request a quote for Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-?
Yes, KEHONG BIO provides custom synthesis services for Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.