4-(2,4-Ditert-pentylphenoxy)aniline
TL;DR: 4-(2,4-Ditert-pentylphenoxy)aniline (CAS 112322-87-9) is a chemical compound with molecular formula C22H31NO and molecular weight 325.24057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]aniline
Also Known As: 4-(2,4-di-tert-pentyloxy)aniline, 4-(2,4-ditert-pentylphenoxy)aniline, 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]aniline
Technical Specifications
| Molecular Formula | C22H31NO |
| Molecular Weight | 325.24057 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.24057 Da |
| Heavy Atoms | 24 |
| Complexity | 381.0 |
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OC2=CC=C(C=C2)N)C(C)(C)CC |
| InChIKey | ZJKJIAWCFFWMTQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2,4-Ditert-pentylphenoxy)aniline
Property Insights of 4-(2,4-Ditert-pentylphenoxy)aniline
The XLogP value of 7.2 indicates that 4-(2,4-Ditert-pentylphenoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 4-(2,4-Ditert-pentylphenoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-Ditert-pentylphenoxy)aniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(2,4-Ditert-pentylphenoxy)aniline?
The CAS number of 4-(2,4-Ditert-pentylphenoxy)aniline is 112322-87-9.
What is the molecular formula of 4-(2,4-Ditert-pentylphenoxy)aniline?
The molecular formula of 4-(2,4-Ditert-pentylphenoxy)aniline is C22H31NO.
What is the molecular weight of 4-(2,4-Ditert-pentylphenoxy)aniline?
The molecular weight of 4-(2,4-Ditert-pentylphenoxy)aniline is 325.24057 g/mol.
Where can I buy 4-(2,4-Ditert-pentylphenoxy)aniline?
You can request a quote for 4-(2,4-Ditert-pentylphenoxy)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2,4-Ditert-pentylphenoxy)aniline?
Yes, CoreyChem provides custom synthesis services for 4-(2,4-Ditert-pentylphenoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.