Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate
TL;DR: Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate (CAS 22014-00-2) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate
Also Known As: methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate, methyl 2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate, methyl (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate, methyl (E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate, (E)-3-(4-Hydroxy-3,5-di-tert-butylphenyl)-2-cyanoacrylic acid methyl ester
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 4.06718 |
| Topological Polar Surface Area | 70.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 645.0321 |
Chemical Identifiers
| CAS Number | 22014-00-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/C(=O)OC |
Product Overview
Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate (CAS 22014-00-2), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: methyl (E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate
Property Insights of Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate
The XLogP value of 4.06718 indicates that Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate has 1 hydrogen bond donor(s) and 4 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 Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate?
The CAS number of Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate is 22014-00-2.
What is the molecular formula of Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate?
The molecular formula of Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate is C19H25NO3.
What is the molecular weight of Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate?
The molecular weight of Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate is 315.18 g/mol.
Where can I buy Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate?
You can request a quote for Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.