Ethyl (4-bromo-2-cyanophenoxy)acetate
TL;DR: Ethyl (4-bromo-2-cyanophenoxy)acetate (CAS 328009-03-6) is a chemical compound with molecular formula C11H10BrNO3 and molecular weight 282.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-bromo-2-cyanophenoxy)acetate
Also Known As: ethyl 2-(4-bromo-2-cyanophenoxy)acetate, Ethyl (4-bromo-2-cyanophenoxy)acetate, TimTec1_001781, ethyl 4-bromo-2-cyanophenoxyacetate, Ethyl (4-bromo-2-cyanophenoxy)acetate #
| Molecular Formula | C11H10BrNO3 |
|---|---|
| Molecular Weight | 282.98 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 | 282.9844 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 328009-03-6 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)Br)C#N |
| InChIKey | MHJDCLCMPWGYGX-UHFFFAOYSA-N |
Product Overview
Ethyl (4-bromo-2-cyanophenoxy)acetate (CAS 328009-03-6), with molecular formula C11H10BrNO3 and molecular weight 282.98 g/mol. IUPAC: ethyl 2-(4-bromo-2-cyanophenoxy)acetate.
Chemical Property Profile of Ethyl (4-bromo-2-cyanophenoxy)acetate
Property Insights of Ethyl (4-bromo-2-cyanophenoxy)acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-bromo-2-cyanophenoxy)acetate. With a topological polar surface area (TPSA) of 59.3 Ų, Ethyl (4-bromo-2-cyanophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (4-bromo-2-cyanophenoxy)acetate 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-bromo-2-cyanophenoxy)acetate?
The CAS number of Ethyl (4-bromo-2-cyanophenoxy)acetate is 328009-03-6.
What is the molecular formula of Ethyl (4-bromo-2-cyanophenoxy)acetate?
The molecular formula of Ethyl (4-bromo-2-cyanophenoxy)acetate is C11H10BrNO3.
What is the molecular weight of Ethyl (4-bromo-2-cyanophenoxy)acetate?
The molecular weight of Ethyl (4-bromo-2-cyanophenoxy)acetate is 282.98 g/mol.
Where can I buy Ethyl (4-bromo-2-cyanophenoxy)acetate?
You can request a quote for Ethyl (4-bromo-2-cyanophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-bromo-2-cyanophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-bromo-2-cyanophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.