AG 112
TL;DR: AG 112 (CAS 122520-87-0) 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.
(3Z)-2-amino-4-(4-hydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile
Also Known As: Tyrphostin AG 112, Tyrphostin A48, Tyrphostin AG112, AG 112, Lopac-T-6943
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=C1/C=C(\C#N)/C(=C(C#N)C#N)N)O |
| InChIKey | DXVJRTIPBNBLLB-BJMVGYQFSA-N |
Chemical Property Profile of AG 112
Property Insights of AG 112
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AG 112. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AG 112. Following Lipinski's Rule of Five, AG 112 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 AG 112?
The CAS number of AG 112 is 122520-87-0.
What is the molecular formula of AG 112?
The molecular formula of AG 112 is C13H8N4O.
What is the molecular weight of AG 112?
The molecular weight of AG 112 is 236.06981 g/mol.
Where can I buy AG 112?
You can request a quote for AG 112 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AG 112?
Yes, CoreyChem provides custom synthesis services for AG 112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.