2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate
TL;DR: 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate (CAS 391229-22-4) is a chemical compound with molecular formula C15H9Br2NO3 and molecular weight 408.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dibromo-4-cyanophenyl) 2-phenoxyacetate
Also Known As: 2,6-dibromo-4-cyanophenyl 2-phenoxyacetate, (2,6-dibromo-4-cyanophenyl) 2-phenoxyacetate, (2,6-dibromo-4-cyano-phenyl) 2-phenoxyacetate, F0208-0058
| Molecular Formula | C15H9Br2NO3 |
|---|---|
| Molecular Weight | 408.89 g/mol |
| LogP | 4.06768 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.89493 |
| Heavy Atoms | 21 |
| Complexity | 672.8052 |
Chemical Identifiers
| CAS Number | 391229-22-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br |
Product Overview
2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate (CAS 391229-22-4), with molecular formula C15H9Br2NO3 and molecular weight 408.89 g/mol. IUPAC: (2,6-dibromo-4-cyanophenyl) 2-phenoxyacetate.
Chemical Property Profile of 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate
Property Insights of 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate
The XLogP value of 4.06768 indicates that 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate 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 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate?
The CAS number of 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate is 391229-22-4.
What is the molecular formula of 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate?
The molecular formula of 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate is C15H9Br2NO3.
What is the molecular weight of 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate?
The molecular weight of 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate is 408.89 g/mol.
Where can I buy 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate?
You can request a quote for 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibromo-4-cyanophenyl 2-phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.