Diethyl (3-bromopropyl)phosphonate
TL;DR: Diethyl (3-bromopropyl)phosphonate (CAS 118968-41-5) is a chemical compound with molecular formula C7H16BrO3P and molecular weight 258.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-diethoxyphosphorylpropane
Also Known As: diethyl (3-bromopropyl)phosphonate, Diethyl 3-Bromopropylphosphonate, Diethyl(3-bromopropyl)phosphonate, 1-bromo-3-diethoxyphosphorylpropane, 1-bromo-3-diethoxyphosphoryl-propane
| Molecular Formula | C7H16BrO3P |
|---|---|
| Molecular Weight | 258.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.00204 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 118968-41-5 |
|---|---|
| SMILES | CCOP(=O)(CCCBr)OCC |
| InChIKey | PEIKTSJIUKYDPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (3-bromopropyl)phosphonate (CAS 118968-41-5), with molecular formula C7H16BrO3P and molecular weight 258.00 g/mol. IUPAC: 1-bromo-3-diethoxyphosphorylpropane.
Chemical Property Profile of Diethyl (3-bromopropyl)phosphonate
Property Insights of Diethyl (3-bromopropyl)phosphonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (3-bromopropyl)phosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl (3-bromopropyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (3-bromopropyl)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 (3-bromopropyl)phosphonate?
The CAS number of Diethyl (3-bromopropyl)phosphonate is 118968-41-5.
What is the molecular formula of Diethyl (3-bromopropyl)phosphonate?
The molecular formula of Diethyl (3-bromopropyl)phosphonate is C7H16BrO3P.
What is the molecular weight of Diethyl (3-bromopropyl)phosphonate?
The molecular weight of Diethyl (3-bromopropyl)phosphonate is 258.00 g/mol.
Where can I buy Diethyl (3-bromopropyl)phosphonate?
You can request a quote for Diethyl (3-bromopropyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (3-bromopropyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (3-bromopropyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.