1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one
TL;DR: 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one (CAS 53807-58-2) is a chemical compound with molecular formula C22H22O4 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyl-7-[hydroxy(phenyl)methyl]-8-oxabicyclo[5.1.1]nonan-9-one
Also Known As: Ritropirronium bromide, 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one, 1-Benzoyl-7-(alpha-hydroxybenzyl)-8-oxabicyclo(5.1.1)nonan-9-one, 8-Oxabicyclo(5.1.1)nonan-9-one, 1-benzoyl-7-(hydroxyphenylmethyl)-, 7-benzoyl-1-[hydroxy(phenyl)methyl]-8-oxabicyclo[5.1.1]nonan-9-one
| Molecular Formula | C22H22O4 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 3.6439 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1518 |
| Heavy Atoms | 26 |
| Complexity | 816.5506 |
Chemical Identifiers
| CAS Number | 53807-58-2 |
|---|---|
| SMILES | C1CCC2(C(=O)C(O2)(CC1)C(=O)C3=CC=CC=C3)C(C4=CC=CC=C4)O |
Product Overview
1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one (CAS 53807-58-2), with molecular formula C22H22O4 and molecular weight 350.15 g/mol. IUPAC: 1-benzoyl-7-[hydroxy(phenyl)methyl]-8-oxabicyclo[5.1.1]nonan-9-one.
Chemical Property Profile of 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one
Property Insights of 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one
The XLogP value of 3.6439 indicates that 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one. Following Lipinski's Rule of Five, 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one has 1 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 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one?
The CAS number of 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one is 53807-58-2.
What is the molecular formula of 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one?
The molecular formula of 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one is C22H22O4.
What is the molecular weight of 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one?
The molecular weight of 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one is 350.15 g/mol.
Where can I buy 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one?
You can request a quote for 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-7-(hydroxyphenylmethyl)-8-oxabicyclo(5.1.1)nonan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.