1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate
TL;DR: 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate (CAS 22966-77-4) is a chemical compound with molecular formula C41H34O3P+ and molecular weight 605.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxy-4-oxo-3,4-diphenylbutyl)-triphenylphosphanium
Also Known As: 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate, (3-benzoyloxy-4-oxo-3,4-diphenylbutyl)-triphenylphosphanium, (3-benzoyloxy-4-oxo-3,4-diphenyl-butyl)-triphenyl-phosphonium, Phosphonium,[3-(benzoyloxy)-4-oxo-3,4-diphenylbutyl]triphenyl-, chloride (1:1), Phosphonium,[3-(benzoyloxy)-4-oxo-3,4-diphenylbutyl]triphenyl-,chloride (1:1)
| Molecular Formula | C41H34O3P+ |
|---|---|
| Molecular Weight | 605.22 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 605.22455 |
| Heavy Atoms | 45 |
| Complexity | 865.0 |
Chemical Identifiers
| CAS Number | 22966-77-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | HBRRWBJSXRKSHV-UHFFFAOYSA-N |
Product Overview
1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate (CAS 22966-77-4), with molecular formula C41H34O3P+ and molecular weight 605.22 g/mol. IUPAC: (3-benzoyloxy-4-oxo-3,4-diphenylbutyl)-triphenylphosphanium.
Chemical Property Profile of 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate
Property Insights of 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate
The XLogP value of 9.5 indicates that 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate?
The CAS number of 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate is 22966-77-4.
What is the molecular formula of 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate?
The molecular formula of 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate is C41H34O3P+.
What is the molecular weight of 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate?
The molecular weight of 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate is 605.22 g/mol.
Where can I buy 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate?
You can request a quote for 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-1-phenyl-3-(triphenylphosphoranyl)propyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.