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Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate
TL;DR: Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate (CAS 662159-47-9) is a chemical compound with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2,2-dicyanoethenyl)phenoxy]acetate
Also Known As: methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate, methyl 2-(4-(2,2-dicyanovinyl)phenoxy)acetate, methyl 2-[4-(2,2-dicyanovinyl)phenoxy]acetate, methyl 2-[4-(2,2-dicyanoethenyl)phenoxy]acetate
| Molecular Formula | C13H10N2O3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 1.66896 |
| Topological Polar Surface Area | 83.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.06914 |
| Heavy Atoms | 18 |
| Complexity | 516.84015 |
Chemical Identifiers
| CAS Number | 662159-47-9 |
|---|---|
| SMILES | COC(=O)COC1=CC=C(C=C1)C=C(C#N)C#N |
Product Overview
Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate (CAS 662159-47-9), with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol. IUPAC: methyl 2-[4-(2,2-dicyanoethenyl)phenoxy]acetate.
Chemical Property Profile of Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate
Property Insights of Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate
The XLogP value of 1.66896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate. The TPSA of 83.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate. Following Lipinski's Rule of Five, Methyl [4-(2,2-dicyanoethenyl)phenoxy]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
Frequently Asked Questions
What is the CAS number of Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate?
The CAS number of Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate is 662159-47-9.
What is the molecular formula of Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate?
The molecular formula of Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate is C13H10N2O3.
What is the molecular weight of Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate?
The molecular weight of Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate is 242.07 g/mol.
Where can I buy Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate?
You can request a quote for Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [4-(2,2-dicyanoethenyl)phenoxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.