Bromofenofos
TL;DR: Bromofenofos (CAS 21466-07-9) is a chemical compound with molecular formula C12H7Br4O5P and molecular weight 577.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4-dibromo-6-(3,5-dibromo-2-hydroxyphenyl)phenyl] dihydrogen phosphate
Also Known As: Bromofenofos, Bromfenofos, Bromfenphos, Bromophenophos, Bromophenphos
| Molecular Formula | C12H7Br4O5P |
|---|---|
| Molecular Weight | 577.68 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 581.67236 |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 21466-07-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C2=C(C(=CC(=C2)Br)Br)OP(=O)(O)O)O)Br)Br |
| InChIKey | MMYHZEDBTMXYAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromofenofos (CAS 21466-07-9), with molecular formula C12H7Br4O5P and molecular weight 577.68 g/mol. IUPAC: [2,4-dibromo-6-(3,5-dibromo-2-hydroxyphenyl)phenyl] dihydrogen phosphate.
Chemical Property Profile of Bromofenofos
Property Insights of Bromofenofos
The XLogP value of 4.3 indicates that Bromofenofos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromofenofos. Following Lipinski's Rule of Five, Bromofenofos has 3 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 Bromofenofos?
The CAS number of Bromofenofos is 21466-07-9.
What is the molecular formula of Bromofenofos?
The molecular formula of Bromofenofos is C12H7Br4O5P.
What is the molecular weight of Bromofenofos?
The molecular weight of Bromofenofos is 577.68 g/mol.
Where can I buy Bromofenofos?
You can request a quote for Bromofenofos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromofenofos?
Yes, KEHONG BIO provides custom synthesis services for Bromofenofos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.