3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile
TL;DR: 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile (CAS 5128-83-6) is a chemical compound with molecular formula C17H25NO and molecular weight 259.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanenitrile
Also Known As: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanenitrile, AB01221439-03, 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanenitrile, 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propiononitrile
| Molecular Formula | C17H25NO |
|---|---|
| Molecular Weight | 259.19 g/mol |
| LogP | 4.44338 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.1936 |
| Heavy Atoms | 19 |
| Complexity | 460.45917 |
Chemical Identifiers
| CAS Number | 5128-83-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC#N |
Product Overview
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile (CAS 5128-83-6), with molecular formula C17H25NO and molecular weight 259.19 g/mol. IUPAC: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanenitrile.
Chemical Property Profile of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile
Property Insights of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile
The XLogP value of 4.44338 indicates that 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.02 Ų, 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile 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-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile?
The CAS number of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile is 5128-83-6.
What is the molecular formula of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile?
The molecular formula of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile is C17H25NO.
What is the molecular weight of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile?
The molecular weight of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile is 259.19 g/mol.
Where can I buy 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile?
You can request a quote for 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.