Bromoxynil heptanoate
TL;DR: Bromoxynil heptanoate (CAS 56634-95-8) is a chemical compound with molecular formula C14H15Br2NO2 and molecular weight 386.94696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,6-dibromo-4-cyanophenyl) heptanoate
Also Known As: Bromoxynil heptanoate, BROMOXYNIL-HEPTANOATE, Buctril 4, Bromoxynil heptanoate [ISO], ACIDYELLOW38
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H15Br2NO2 |
| Molecular Weight | 386.94696 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.9449 Da |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
| SMILES | CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br |
| InChIKey | BHZWBQPHPLFZSV-UHFFFAOYSA-N |
Chemical Property Profile of Bromoxynil heptanoate
Property Insights of Bromoxynil heptanoate
The XLogP value of 5.2 indicates that Bromoxynil heptanoate 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 heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromoxynil heptanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bromoxynil heptanoate?
The CAS number of Bromoxynil heptanoate is 56634-95-8.
What is the molecular formula of Bromoxynil heptanoate?
The molecular formula of Bromoxynil heptanoate is C14H15Br2NO2.
What is the molecular weight of Bromoxynil heptanoate?
The molecular weight of Bromoxynil heptanoate is 386.94696 g/mol.
Where can I buy Bromoxynil heptanoate?
You can request a quote for Bromoxynil heptanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bromoxynil heptanoate?
Yes, CoreyChem provides custom synthesis services for Bromoxynil heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.