4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium
TL;DR: 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium (CAS 71266-49-4) is a chemical compound with molecular formula C22H26NO3+ and molecular weight 352.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron
Also Known As: (4-(Benzoyloxy)-1-propyl-4-piperidinyl)phenylmethanone conjugate monoacid, 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium, (4-benzoyl-1-propylpiperidin-4-yl) benzoate; hydron, Methanone, (4-(benzoyloxy)-1-propyl-4-piperidinyl)phenyl-, conjugate monoacid, RefChem:1070358
| Molecular Formula | C22H26NO3+ |
|---|---|
| Molecular Weight | 352.19 g/mol |
| LogP | 4.0834 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.19125 |
| Heavy Atoms | 26 |
| Complexity | 740.6679 |
Chemical Identifiers
| CAS Number | 71266-49-4 |
|---|---|
| SMILES | [H+].CCCN1CCC(CC1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 |
Product Overview
4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium (CAS 71266-49-4), with molecular formula C22H26NO3+ and molecular weight 352.19 g/mol. IUPAC: (4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron.
Chemical Property Profile of 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium
Property Insights of 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium
The XLogP value of 4.0834 indicates that 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium 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 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium?
The CAS number of 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium is 71266-49-4.
What is the molecular formula of 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium?
The molecular formula of 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium is C22H26NO3+.
What is the molecular weight of 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium?
The molecular weight of 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium is 352.19 g/mol.
Where can I buy 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium?
You can request a quote for 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoyl-4-(benzoyloxy)-1-propylpiperidin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.