2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene
TL;DR: 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene (CAS 144978-82-5) is a chemical compound with molecular formula C13H8N4O and molecular weight 236.06981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: Tyrphostin A48, Tyrphostin A 48, 2-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile, AG 112, 2-amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H8N4O |
| Molecular Weight | 236.06981 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06981 Da |
| Heavy Atoms | 18 |
| Complexity | 505.0 |
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=C(C#N)C#N)N)O |
| InChIKey | DXVJRTIPBNBLLB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene
Property Insights of 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene. Following Lipinski's Rule of Five, 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene has 2 hydrogen bond donor(s) and 5 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-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene?
The CAS number of 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene is 144978-82-5.
What is the molecular formula of 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene?
The molecular formula of 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene is C13H8N4O.
What is the molecular weight of 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene?
The molecular weight of 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene is 236.06981 g/mol.
Where can I buy 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene?
You can request a quote for 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4-(4'-hydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.