Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate
TL;DR: Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate (CAS 445014-15-3) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-cyano-2-methoxyphenoxy)acetate
Also Known As: ethyl 2-(4-cyano-2-methoxyphenoxy)acetate, ethyl (4-cyano-2-methoxyphenoxy)acetate, Ethyl 2-(4-cyano-2-methoxy-phenoxy)acetate, ethyl2-(4-cyano-2-methoxyphenoxy)acetate, 4-ethoxycarbonylmethoxy-3-methoxybenzonitrile
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.50878 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 436.62204 |
Chemical Identifiers
| CAS Number | 445014-15-3 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)C#N)OC |
Product Overview
Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate (CAS 445014-15-3), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: ethyl 2-(4-cyano-2-methoxyphenoxy)acetate.
Chemical Property Profile of Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate
Property Insights of Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate
The XLogP value of 1.50878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate. Following Lipinski's Rule of Five, Ethyl 2-(4-cyano-2-methoxyphenoxy)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 Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate?
The CAS number of Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate is 445014-15-3.
What is the molecular formula of Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate?
The molecular formula of Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate is C12H13NO4.
What is the molecular weight of Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate?
The molecular weight of Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate is 235.08 g/mol.
Where can I buy Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate?
You can request a quote for Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-cyano-2-methoxyphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.