2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
TL;DR: 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile (CAS 133550-18-2) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Also Known As: Tyrphostin AG 538, AG 538, 2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile, 3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphenyl)-oxomethyl]-2-propenenitrile, alpha-Cyano-(3,4-dihydroxy)cinnamoyl-(3',4'-dihydroxyphenyl)ketone
Technical Specifications
| Molecular Formula | C16H11NO5 |
| Molecular Weight | 297.06372 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.06372 Da |
| Heavy Atoms | 22 |
| Complexity | 494.0 |
| SMILES | C1=CC(=C(C=C1C=C(C#N)C(=O)C2=CC(=C(C=C2)O)O)O)O |
| InChIKey | CANOJKGQDCJDOX-UHFFFAOYSA-N |
Product Description
Applications: 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile is a fine chemical identified by CAS number 133550-18-2 and the molecular formula C16H11NO5 and a molecular weight of 297.06 g/mol. Synonyms include Tyrphostin AG 538 and AG 538.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Property Insights of 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
The CAS number of 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile is 133550-18-2.
What is the molecular formula of 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
The molecular formula of 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile is C16H11NO5.
What is the molecular weight of 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
The molecular weight of 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile is 297.06372 g/mol.
What are the applications of 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
You can request a quote for 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.