(3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide
TL;DR: (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide (CAS 42843-94-7) is a chemical compound with molecular formula C23H24O2P+ and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethoxy-3-oxopropyl)-triphenylphosphanium
Also Known As: LCZ696 intmidiate B3, Ethyl 3-(triphenylphosphoranyl)propanoate, (ethoxycarbonylethylene)triphenylphosphorane, Phosphonium, (3-ethoxy-3-oxopropyl)triphenyl-, (3-ethoxy-3-oxopropyl)-triphenylphosphanium
| Molecular Formula | C23H24O2P+ |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.1514 |
| Heavy Atoms | 26 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 42843-94-7 |
|---|---|
| SMILES | CCOC(=O)CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | GURKTTIRZFPBBT-UHFFFAOYSA-N |
Product Overview
(3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide (CAS 42843-94-7), with molecular formula C23H24O2P+ and molecular weight 363.15 g/mol. IUPAC: (3-ethoxy-3-oxopropyl)-triphenylphosphanium.
Chemical Property Profile of (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide
Property Insights of (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide
The XLogP value of 4.8 indicates that (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide has 0 hydrogen bond donor(s) and 2 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 (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide?
The CAS number of (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide is 42843-94-7.
What is the molecular formula of (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide?
The molecular formula of (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide is C23H24O2P+.
What is the molecular weight of (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide?
The molecular weight of (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide is 363.15 g/mol.
Where can I buy (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide?
You can request a quote for (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide?
Yes, KEHONG BIO provides custom synthesis services for (3-Ethoxy-3-oxopropyl)(triphenyl)phosphonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.