(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile
TL;DR: (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile (CAS 1611-07-0) is a chemical compound with molecular formula C16H23NO and molecular weight 245.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-ditert-butyl-4-hydroxyphenyl)acetonitrile
Also Known As: 3,5-Di-Tert-Butyl-4-Hydroxyphenylacetonitrile, 2-(3,5-di-tert-butyl-4-hydroxyphenyl)acetonitrile, N-cyclohexyl-4-methylaniline, 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetonitrile, (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile
| Molecular Formula | C16H23NO |
|---|---|
| Molecular Weight | 245.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.17796 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 1611-07-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC#N |
| InChIKey | BEQZSRGZHCDMMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile (CAS 1611-07-0), with molecular formula C16H23NO and molecular weight 245.18 g/mol. IUPAC: 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetonitrile.
Chemical Property Profile of (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile
Property Insights of (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile
The XLogP value of 4.6 indicates that (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile 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 (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile?
The CAS number of (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile is 1611-07-0.
What is the molecular formula of (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile?
The molecular formula of (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile is C16H23NO.
What is the molecular weight of (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile?
The molecular weight of (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile is 245.18 g/mol.
Where can I buy (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile?
You can request a quote for (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.