Bromoxynil 2,4-DB
TL;DR: Bromoxynil 2,4-DB (CAS 5154-89-2) is a chemical compound with molecular formula C17H13Br2Cl2NO4 and molecular weight 522.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-4-hydroxybenzonitrile;4-(2,4-dichlorophenoxy)butanoic acid
Also Known As: Bromoxynil 2,4-DB, Buctril DB, Bromoxynil-2,4-DB mixt., 4-(2,4-dichlorophenoxy)butanoic acid- 3,5-dibromo-4-hydroxybenzonitrile(1:1), 4-(2,4-Dichlorophenoxy)butanoic acid mixt. with 3,5-dibromo-4-hydroxybenzonitrile
| Molecular Formula | C17H13Br2Cl2NO4 |
|---|---|
| Molecular Weight | 522.86 g/mol |
| LogP | 6.02588 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 522.8588 |
| Heavy Atoms | 26 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 5154-89-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O.C1=C(C=C(C(=C1Br)O)Br)C#N |
| InChIKey | GUDZEEYSJOEZHG-UHFFFAOYSA-N |
Product Overview
Bromoxynil 2,4-DB (CAS 5154-89-2), with molecular formula C17H13Br2Cl2NO4 and molecular weight 522.86 g/mol. IUPAC: 3,5-dibromo-4-hydroxybenzonitrile;4-(2,4-dichlorophenoxy)butanoic acid.
Chemical Property Profile of Bromoxynil 2,4-DB
Property Insights of Bromoxynil 2,4-DB
The XLogP value of 6.02588 indicates that Bromoxynil 2,4-DB is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromoxynil 2,4-DB. Following Lipinski's Rule of Five, Bromoxynil 2,4-DB has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bromoxynil 2,4-DB?
The CAS number of Bromoxynil 2,4-DB is 5154-89-2.
What is the molecular formula of Bromoxynil 2,4-DB?
The molecular formula of Bromoxynil 2,4-DB is C17H13Br2Cl2NO4.
What is the molecular weight of Bromoxynil 2,4-DB?
The molecular weight of Bromoxynil 2,4-DB is 522.86 g/mol.
Where can I buy Bromoxynil 2,4-DB?
You can request a quote for Bromoxynil 2,4-DB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoxynil 2,4-DB?
Yes, KEHONG BIO provides custom synthesis services for Bromoxynil 2,4-DB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.