Bromoxynil butyrate
TL;DR: Bromoxynil butyrate (CAS 3861-41-4) is a chemical compound with molecular formula C11H9Br2NO2 and molecular weight 344.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dibromo-4-cyanophenyl) butanoate
Also Known As: Bromoxynil butyrate, Caswell No. 119E, Bromoxynil butyrate [ISO], 2,6-Dibromo-4-cyanophenyl butyrate, BROMOXYNIL BUTANOATE
| Molecular Formula | C11H9Br2NO2 |
|---|---|
| Molecular Weight | 344.90 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.89795 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 3861-41-4 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br |
| InChIKey | PGMZYNZXIYOOHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromoxynil butyrate (CAS 3861-41-4), with molecular formula C11H9Br2NO2 and molecular weight 344.90 g/mol. IUPAC: (2,6-dibromo-4-cyanophenyl) butanoate.
Chemical Property Profile of Bromoxynil butyrate
Property Insights of Bromoxynil butyrate
The XLogP value of 3.6 indicates that Bromoxynil butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Bromoxynil butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromoxynil butyrate has 0 hydrogen bond donor(s) and 3 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 Bromoxynil butyrate?
The CAS number of Bromoxynil butyrate is 3861-41-4.
What is the molecular formula of Bromoxynil butyrate?
The molecular formula of Bromoxynil butyrate is C11H9Br2NO2.
What is the molecular weight of Bromoxynil butyrate?
The molecular weight of Bromoxynil butyrate is 344.90 g/mol.
Where can I buy Bromoxynil butyrate?
You can request a quote for Bromoxynil butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoxynil butyrate?
Yes, KEHONG BIO provides custom synthesis services for Bromoxynil butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.