4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate
TL;DR: 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate (CAS 100382-13-6) is a chemical compound with molecular formula C13H10N2O3 and molecular weight 242.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2,2-dicyanoethenyl)-2-methoxyphenyl] acetate
Also Known As: BAS 00632245, 4-acetoxy-3-methoxybenzylidenemalonitrile, 4-(2,2-dicyanovinyl)-2-methoxyphenyl acetate, 2-Methoxy-4-(2,2-dicyanoethenyl)phenol acetate, 4-(2,2-dicyanoethenyl)-2-methoxyphenyl acetate
Technical Specifications
| Molecular Formula | C13H10N2O3 |
| Molecular Weight | 242.06914 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.06914 Da |
| Heavy Atoms | 18 |
| Complexity | 420.0 |
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=C(C#N)C#N)OC |
| InChIKey | CLKJRHLZRWBLSZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate
Property Insights of 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate. Following Lipinski's Rule of Five, 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate has 0 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 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate?
The CAS number of 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate is 100382-13-6.
What is the molecular formula of 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate?
The molecular formula of 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate is C13H10N2O3.
What is the molecular weight of 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate?
The molecular weight of 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate is 242.06914 g/mol.
Where can I buy 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate?
You can request a quote for 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate?
Yes, CoreyChem provides custom synthesis services for 4-(2,2-Dicyanovinyl)-2-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.