Diethyl (2-bromoethyl)phosphonate
TL;DR: Diethyl (2-bromoethyl)phosphonate (CAS 5324-30-1) is a chemical compound with molecular formula C6H14BrO3P and molecular weight 243.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-diethoxyphosphorylethane
Also Known As: Diethyl 2-bromoethylphosphonate, Diethyl (2-bromoethyl)phosphonate, 1-bromo-2-diethoxyphosphorylethane, diethyl(2-bromoethyl)phosphonate, diethyl bromoethylphosphonate
| Molecular Formula | C6H14BrO3P |
|---|---|
| Molecular Weight | 243.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.98639 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 5324-30-1 |
|---|---|
| SMILES | CCOP(=O)(CCBr)OCC |
| InChIKey | PINITSMLVXAASM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (2-bromoethyl)phosphonate (CAS 5324-30-1), with molecular formula C6H14BrO3P and molecular weight 243.99 g/mol. IUPAC: 1-bromo-2-diethoxyphosphorylethane.
Chemical Property Profile of Diethyl (2-bromoethyl)phosphonate
Property Insights of Diethyl (2-bromoethyl)phosphonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (2-bromoethyl)phosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl (2-bromoethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (2-bromoethyl)phosphonate 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 Diethyl (2-bromoethyl)phosphonate?
The CAS number of Diethyl (2-bromoethyl)phosphonate is 5324-30-1.
What is the molecular formula of Diethyl (2-bromoethyl)phosphonate?
The molecular formula of Diethyl (2-bromoethyl)phosphonate is C6H14BrO3P.
What is the molecular weight of Diethyl (2-bromoethyl)phosphonate?
The molecular weight of Diethyl (2-bromoethyl)phosphonate is 243.99 g/mol.
Where can I buy Diethyl (2-bromoethyl)phosphonate?
You can request a quote for Diethyl (2-bromoethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-bromoethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-bromoethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.