2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
TL;DR: 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide (CAS 83677-19-4) is a chemical compound with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
Also Known As: benzylidenemalononitrile (BMN) deriv. 45, 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide, 2-Propenamide, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-cyano-, beta-Carbamoyl-beta-cyano-3,5-di-tert-butyl-4-hydroxystyrene, 3-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-cyano-2-propenamide
| Molecular Formula | C18H24N2O2 |
|---|---|
| Molecular Weight | 300.18 g/mol |
| LogP | 3.37948 |
| Topological Polar Surface Area | 87.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.18378 |
| Heavy Atoms | 22 |
| Complexity | 630.7934 |
Chemical Identifiers
| CAS Number | 83677-19-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C(=O)N |
Product Overview
2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide (CAS 83677-19-4), with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol. IUPAC: 2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide.
Chemical Property Profile of 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
Property Insights of 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
The XLogP value of 3.37948 indicates that 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide has 2 hydrogen bond donor(s) and 3 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-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide?
The CAS number of 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide is 83677-19-4.
What is the molecular formula of 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide?
The molecular formula of 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide is C18H24N2O2.
What is the molecular weight of 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide?
The molecular weight of 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide is 300.18 g/mol.
Where can I buy 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide?
You can request a quote for 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.