Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester
TL;DR: Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester (CAS 30041-95-3) 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 2-(4-cyanophenoxy)acetate
Also Known As: ethyl 2-(4-cyanophenoxy)acetate, Ethyl (4-cyanophenoxy)acetate, ethyl 4-cyanophenoxyacetate, (4-CYANOPHENOXY) ACETIC ACID ETHYL ESTER, ethyl 2-p-cyanophenoxyacetate
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.6 |
| 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 | 30041-95-3 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=C(C=C1)C#N |
| InChIKey | FZIFHLRZVOQASN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester (CAS 30041-95-3), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: ethyl 2-(4-cyanophenoxy)acetate.
Chemical Property Profile of Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester
Property Insights of Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester. With a topological polar surface area (TPSA) of 59.3 Ų, Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester 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 Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester?
The CAS number of Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester is 30041-95-3.
What is the molecular formula of Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester?
The molecular formula of Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester is C11H11NO3.
What is the molecular weight of Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester?
The molecular weight of Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester is 205.07 g/mol.
Where can I buy Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester?
You can request a quote for Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(4-cyanophenoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.