Ethyl 4-(cyanomethoxy)benzoate
TL;DR: Ethyl 4-(cyanomethoxy)benzoate (CAS 501662-75-5) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(cyanomethoxy)benzoate
Also Known As: ethyl 4-(cyanomethoxy)benzoate, ethyl4-(cyanomethoxy)benzoate, 4-ethoxycarbonylphenoxyacetonitrile, 4-(cyanomethoxy)Benzoic acid ethyl ester, 855-949-0
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 501662-75-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC#N |
| InChIKey | OPECUFOYIBBNNV-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(cyanomethoxy)benzoate (CAS 501662-75-5), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: ethyl 4-(cyanomethoxy)benzoate.
Chemical Property Profile of Ethyl 4-(cyanomethoxy)benzoate
Property Insights of Ethyl 4-(cyanomethoxy)benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(cyanomethoxy)benzoate. With a topological polar surface area (TPSA) of 59.3 Ų, Ethyl 4-(cyanomethoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(cyanomethoxy)benzoate has 0 hydrogen bond donor(s) and 4 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 4-(cyanomethoxy)benzoate?
The CAS number of Ethyl 4-(cyanomethoxy)benzoate is 501662-75-5.
What is the molecular formula of Ethyl 4-(cyanomethoxy)benzoate?
The molecular formula of Ethyl 4-(cyanomethoxy)benzoate is C11H11NO3.
What is the molecular weight of Ethyl 4-(cyanomethoxy)benzoate?
The molecular weight of Ethyl 4-(cyanomethoxy)benzoate is 205.07 g/mol.
Where can I buy Ethyl 4-(cyanomethoxy)benzoate?
You can request a quote for Ethyl 4-(cyanomethoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(cyanomethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(cyanomethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.