2,6-Di-tert-butyl-4-isocyanophenol
TL;DR: 2,6-Di-tert-butyl-4-isocyanophenol (CAS 20600-84-4) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-isocyanophenol
Also Known As: 2,6-Di-tert-butyl-4-isocyanophenol, 2,6-di-t-butyl-4-isocyanophenol, 2,6-ditert-butyl-4-isocyanophenol, 4-isocyano-2,6-ditert-butyl-phenol, 3,5-Di-tert-butyl-4-hydroxyphenyl isocyanide
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 24.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 20600-84-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+]#[C-] |
| InChIKey | MCRXDSPMWIMKMZ-UHFFFAOYSA-N |
Product Overview
2,6-Di-tert-butyl-4-isocyanophenol (CAS 20600-84-4), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 2,6-ditert-butyl-4-isocyanophenol.
Chemical Property Profile of 2,6-Di-tert-butyl-4-isocyanophenol
Property Insights of 2,6-Di-tert-butyl-4-isocyanophenol
The XLogP value of 4.6 indicates that 2,6-Di-tert-butyl-4-isocyanophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.6 Ų, 2,6-Di-tert-butyl-4-isocyanophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Di-tert-butyl-4-isocyanophenol has 1 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 2,6-Di-tert-butyl-4-isocyanophenol?
The CAS number of 2,6-Di-tert-butyl-4-isocyanophenol is 20600-84-4.
What is the molecular formula of 2,6-Di-tert-butyl-4-isocyanophenol?
The molecular formula of 2,6-Di-tert-butyl-4-isocyanophenol is C15H21NO.
What is the molecular weight of 2,6-Di-tert-butyl-4-isocyanophenol?
The molecular weight of 2,6-Di-tert-butyl-4-isocyanophenol is 231.16 g/mol.
Where can I buy 2,6-Di-tert-butyl-4-isocyanophenol?
You can request a quote for 2,6-Di-tert-butyl-4-isocyanophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di-tert-butyl-4-isocyanophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-tert-butyl-4-isocyanophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.