1-Bromo-3-dimethoxyphosphorylpropane
TL;DR: 1-Bromo-3-dimethoxyphosphorylpropane (CAS 177342-84-6) is a chemical compound with molecular formula C5H12BrO3P and molecular weight 229.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-dimethoxyphosphorylpropane
Also Known As: 1-bromo-3-dimethoxyphosphorylpropane, dimethyl 3-bromopropylphosphonate, dimethyl(3-bromopropyl)phosphonate, 1-Bromo-3-dimethoxyphosphoryl-propane, dimethyl (3-bromopropyl)phosphonate
| Molecular Formula | C5H12BrO3P |
|---|---|
| Molecular Weight | 229.97 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.97073 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 177342-84-6 |
|---|---|
| SMILES | COP(=O)(CCCBr)OC |
| InChIKey | XKITUVWHONUREI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-3-dimethoxyphosphorylpropane (CAS 177342-84-6), with molecular formula C5H12BrO3P and molecular weight 229.97 g/mol. IUPAC: 1-bromo-3-dimethoxyphosphorylpropane.
Chemical Property Profile of 1-Bromo-3-dimethoxyphosphorylpropane
Property Insights of 1-Bromo-3-dimethoxyphosphorylpropane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-3-dimethoxyphosphorylpropane. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Bromo-3-dimethoxyphosphorylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-dimethoxyphosphorylpropane 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 1-Bromo-3-dimethoxyphosphorylpropane?
The CAS number of 1-Bromo-3-dimethoxyphosphorylpropane is 177342-84-6.
What is the molecular formula of 1-Bromo-3-dimethoxyphosphorylpropane?
The molecular formula of 1-Bromo-3-dimethoxyphosphorylpropane is C5H12BrO3P.
What is the molecular weight of 1-Bromo-3-dimethoxyphosphorylpropane?
The molecular weight of 1-Bromo-3-dimethoxyphosphorylpropane is 229.97 g/mol.
Where can I buy 1-Bromo-3-dimethoxyphosphorylpropane?
You can request a quote for 1-Bromo-3-dimethoxyphosphorylpropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3-dimethoxyphosphorylpropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3-dimethoxyphosphorylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.