AG 494
TL;DR: AG 494 (CAS 139087-53-9) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide
Also Known As: Tyrphostin B48, Tyrphostin AG 494, AG 494, tamoxifen, Tyrphostin AG-494
Technical Specifications
| Molecular Formula | C16H12N2O3 |
| Molecular Weight | 280.08478 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 93.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08478 Da |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N |
| InChIKey | HKHOVJYOELRGMV-XYOKQWHBSA-N |
Chemical Property Profile of AG 494
Property Insights of AG 494
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AG 494. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AG 494. Following Lipinski's Rule of Five, AG 494 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AG 494?
The CAS number of AG 494 is 139087-53-9.
What is the molecular formula of AG 494?
The molecular formula of AG 494 is C16H12N2O3.
What is the molecular weight of AG 494?
The molecular weight of AG 494 is 280.08478 g/mol.
Where can I buy AG 494?
You can request a quote for AG 494 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AG 494?
Yes, CoreyChem provides custom synthesis services for AG 494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.