![2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid structure](/static/products/1025/1025642-28-7.webp)
2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid
TL;DR: 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid (CAS 1025642-28-7) is a chemical compound with molecular formula C13H10N4O3 and molecular weight 270.0753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(2-amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid
Also Known As: 2-(4-(4-amino-2-aza-3,4-dinitrilobuta-1,3-dienyl)phenoxy)acetic acid, 2-(4-{[(2-amino-1,2-dicyanoeth-1-en-1-yl)imino]methyl}phenoxy)acetic acid, 2-[4-[(2-amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid, 2-[4-[(2-amino-1,2-dicyano-ethenyl)iminomethyl]phenoxy]acetic Acid, 2-[4-[(2-amino-1,2-dicyano-vinyl)iminomethyl]phenoxy]acetic acid
Technical Specifications
| Molecular Formula | C13H10N4O3 |
| Molecular Weight | 270.0753 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0753 Da |
| Heavy Atoms | 20 |
| Complexity | 512.0 |
| SMILES | C1=CC(=CC=C1C=NC(=C(C#N)N)C#N)OCC(=O)O |
| InChIKey | YVNRTMSCNOYYLL-UHFFFAOYSA-N |
Chemical Property Profile of 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid
Property Insights of 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid. Following Lipinski's Rule of Five, 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid has 2 hydrogen bond donor(s) and 7 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-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid?
The CAS number of 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid is 1025642-28-7.
What is the molecular formula of 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid?
The molecular formula of 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid is C13H10N4O3.
What is the molecular weight of 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid?
The molecular weight of 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid is 270.0753 g/mol.
Where can I buy 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid?
You can request a quote for 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-[4-[(2-Amino-1,2-dicyanoethenyl)iminomethyl]phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.