Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride
TL;DR: Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride (CAS 54556-98-8) is a chemical compound with molecular formula C23H30ClNO3 and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate chloride
Also Known As: Mictonorm, propiverine hydrochloride, Propiverine HCl, Propiverine, Hydrochloride, Propiverine hydrochloride [JAN]
| Molecular Formula | C23H30ClNO3 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | -0.42 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.1914 |
| Heavy Atoms | 28 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 54556-98-8 |
|---|---|
| SMILES | CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CC[NH+](CC3)C.[Cl-] |
| InChIKey | KFUJMHHNLGCTIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride (CAS 54556-98-8), with molecular formula C23H30ClNO3 and molecular weight 403.19 g/mol. IUPAC: (1-methylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate chloride.
Chemical Property Profile of Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride
Property Insights of Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride
The XLogP value of -0.42 indicates that Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride 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 Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride?
The CAS number of Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride is 54556-98-8.
What is the molecular formula of Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride?
The molecular formula of Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride is C23H30ClNO3.
What is the molecular weight of Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride?
The molecular weight of Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride is 403.19 g/mol.
Where can I buy Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride?
You can request a quote for Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Diphenylpropoxyacetic acid 1-methyl-4-piperidyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.