Bromodifluoromethyl diethylphosphonate
TL;DR: Bromodifluoromethyl diethylphosphonate (CAS 65094-22-6) is a chemical compound with molecular formula C5H10BrF2O3P and molecular weight 265.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane
Also Known As: Diethyl (bromodifluoromethyl)phosphonate, Bromodifluoromethyl diethylphosphonate, diethyl bromodifluoromethanephosphonate, diethyl bromodifluoromethylphosphonate, 1-BUTANEPHOSPHONICACID
| Molecular Formula | C5H10BrF2O3P |
|---|---|
| Molecular Weight | 265.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.9519 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 65094-22-6 |
|---|---|
| SMILES | CCOP(=O)(C(F)(F)Br)OCC |
| InChIKey | QRADKVYIJIAENZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromodifluoromethyl diethylphosphonate (CAS 65094-22-6), with molecular formula C5H10BrF2O3P and molecular weight 265.95 g/mol. IUPAC: 1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane.
Chemical Property Profile of Bromodifluoromethyl diethylphosphonate
Property Insights of Bromodifluoromethyl diethylphosphonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromodifluoromethyl diethylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Bromodifluoromethyl diethylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromodifluoromethyl diethylphosphonate has 0 hydrogen bond donor(s) and 5 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 Bromodifluoromethyl diethylphosphonate?
The CAS number of Bromodifluoromethyl diethylphosphonate is 65094-22-6.
What is the molecular formula of Bromodifluoromethyl diethylphosphonate?
The molecular formula of Bromodifluoromethyl diethylphosphonate is C5H10BrF2O3P.
What is the molecular weight of Bromodifluoromethyl diethylphosphonate?
The molecular weight of Bromodifluoromethyl diethylphosphonate is 265.95 g/mol.
Where can I buy Bromodifluoromethyl diethylphosphonate?
You can request a quote for Bromodifluoromethyl diethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromodifluoromethyl diethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bromodifluoromethyl diethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.