Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate
TL;DR: Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate (CAS 84641-75-8) is a chemical compound with molecular formula C31H27O5P and molecular weight 510.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-ethoxy-3-oxo-2-(triphenyl-λ5-phosphanylidene)propanoyl]benzoate
Also Known As: NCI60_021676, methyl 2-[3-ethoxy-3-oxo-2-(triphenyl-, Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate, methyl 2-[3-ethoxy-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)propanoyl]benzoate, Methyl 2-[3-ethoxy-3-oxo-2-(triphenyl-lambda~5~-phosphanylidene)propanoyl]benzoate
| Molecular Formula | C31H27O5P |
|---|---|
| Molecular Weight | 510.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.1596 |
| Heavy Atoms | 37 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 84641-75-8 |
|---|---|
| SMILES | CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)OC |
| InChIKey | OARBMTDZDXDRRV-UHFFFAOYSA-N |
Product Overview
Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate (CAS 84641-75-8), with molecular formula C31H27O5P and molecular weight 510.16 g/mol. IUPAC: methyl 2-[3-ethoxy-3-oxo-2-(triphenyl-λ5-phosphanylidene)propanoyl]benzoate.
Chemical Property Profile of Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate
Property Insights of Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate
The XLogP value of 5.7 indicates that Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate. Following Lipinski's Rule of Five, Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate?
The CAS number of Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate is 84641-75-8.
What is the molecular formula of Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate?
The molecular formula of Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate is C31H27O5P.
What is the molecular weight of Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate?
The molecular weight of Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate is 510.16 g/mol.
Where can I buy Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate?
You can request a quote for Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.