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Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate
TL;DR: Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate (CAS 59925-00-7) is a chemical compound with molecular formula C25H28O4P2 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryl-3-(triphenyl-λ5-phosphanylidene)propan-2-one
Also Known As: 1-diethoxyphosphoryl-3-(triphenyl-, DIETHYL [2-OXO-3-(TRIPHENYLPHOSPHORANYLIDENE)PROPYL]PHOSPHONATE, diethoxyphosphinylacetylmethylenetriphenylphosphorane, 1-diethoxyphosphoryl-3-triphenylphosphoranylidene-propan-2-one, Diethyl (2-oxo-3-(triphenylphosphoranylidene)propyl)phosphonate
| Molecular Formula | C25H28O4P2 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 4.6179 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 454.14627 |
| Heavy Atoms | 31 |
| Complexity | 966.86053 |
Chemical Identifiers
| CAS Number | 59925-00-7 |
|---|---|
| SMILES | CCOP(=O)(CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OCC |
Product Overview
Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate (CAS 59925-00-7), with molecular formula C25H28O4P2 and molecular weight 454.15 g/mol. IUPAC: 1-diethoxyphosphoryl-3-(triphenyl-λ5-phosphanylidene)propan-2-one.
Chemical Property Profile of Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate
Property Insights of Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate
The XLogP value of 4.6179 indicates that Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate has 0 hydrogen bond donor(s) and 4 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-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate?
The CAS number of Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate is 59925-00-7.
What is the molecular formula of Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate?
The molecular formula of Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate is C25H28O4P2.
What is the molecular weight of Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate?
The molecular weight of Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate is 454.15 g/mol.
Where can I buy Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate?
You can request a quote for Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]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-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [2-oxo-3-(triphenylphosphoranylidene)propyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.