(E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
TL;DR: (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile (CAS 133550-22-8) is a chemical compound with molecular formula C16H11NO3 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Also Known As: Tyrphostin deriv. 29, EGFR-IN-16, (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile, (E)-2-Benzoyl-3-(3,4-dihydroxyphenyl)acrylonitrile, 2-benzoyl-3-(3,4-dihydroxyphenyl)acrylonitrile
| Molecular Formula | C16H11NO3 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 2.88768 |
| Topological Polar Surface Area | 81.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07388 |
| Heavy Atoms | 20 |
| Complexity | 712.247 |
Chemical Identifiers
| CAS Number | 133550-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N |
Product Overview
(E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile (CAS 133550-22-8), with molecular formula C16H11NO3 and molecular weight 265.07 g/mol. IUPAC: (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Property Insights of (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
The XLogP value of 2.88768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile. The TPSA of 81.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile has 2 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 (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
The CAS number of (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile is 133550-22-8.
What is the molecular formula of (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
The molecular formula of (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile is C16H11NO3.
What is the molecular weight of (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
The molecular weight of (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile is 265.07 g/mol.
Where can I buy (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
You can request a quote for (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-benzoyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.