Propiverine N-oxide
TL;DR: Propiverine N-oxide (CAS 111071-96-6) is a chemical compound with molecular formula C23H29NO4 and molecular weight 383.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-1-oxidopiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate
Also Known As: Propiverine N-oxide, 1-methyl-4-piperidyl diphenylpropoxyacetate n-oxide, (1-methyl-1-oxidopiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate, 1-Methyl-4-(propoxydiphenylacetoxy)piperidine 1-oxide, Propiverine N-Oxide (Mixture of cis & trans-Isomers)
| Molecular Formula | C23H29NO4 |
|---|---|
| Molecular Weight | 383.21 g/mol |
| LogP | 4.0068 |
| Topological Polar Surface Area | 58.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.20966 |
| Heavy Atoms | 28 |
| Complexity | 711.1865 |
Chemical Identifiers
| CAS Number | 111071-96-6 |
|---|---|
| SMILES | CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CC[N+](CC3)(C)[O-] |
Product Overview
Propiverine N-oxide (CAS 111071-96-6), with molecular formula C23H29NO4 and molecular weight 383.21 g/mol. IUPAC: (1-methyl-1-oxidopiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate.
Chemical Property Profile of Propiverine N-oxide
Property Insights of Propiverine N-oxide
The XLogP value of 4.0068 indicates that Propiverine N-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.59 Ų, Propiverine N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propiverine N-oxide 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 Propiverine N-oxide?
The CAS number of Propiverine N-oxide is 111071-96-6.
What is the molecular formula of Propiverine N-oxide?
The molecular formula of Propiverine N-oxide is C23H29NO4.
What is the molecular weight of Propiverine N-oxide?
The molecular weight of Propiverine N-oxide is 383.21 g/mol.
Where can I buy Propiverine N-oxide?
You can request a quote for Propiverine N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propiverine N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Propiverine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.