3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile
TL;DR: 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile (CAS 170449-05-5) is a chemical compound with molecular formula C23H27NO3S and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enenitrile
Also Known As: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile, (E)-3-(3, 5-di-t-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile, (E)-3-(3,5-di-t-butyl-4-hydroxyphenyl)-2-(phenylsulfonvl)acrylonitrile, (e)-3-(3,5-di-t-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile, (E)-3-(3,5-di-Tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile
| Molecular Formula | C23H27NO3S |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 5.32558 |
| Topological Polar Surface Area | 78.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.17117 |
| Heavy Atoms | 28 |
| Complexity | 1010.747 |
Chemical Identifiers
| CAS Number | 170449-05-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2 |
Product Overview
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile (CAS 170449-05-5), with molecular formula C23H27NO3S and molecular weight 397.17 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile
Property Insights of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile
The XLogP value of 5.32558 indicates that 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile. Following Lipinski's Rule of Five, 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile?
The CAS number of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile is 170449-05-5.
What is the molecular formula of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile?
The molecular formula of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile is C23H27NO3S.
What is the molecular weight of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile?
The molecular weight of 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile is 397.17 g/mol.
Where can I buy 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile?
You can request a quote for 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile 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)-2-(phenylsulfonyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.