Zimeldine hydrochloride
TL;DR: Zimeldine hydrochloride (CAS 61129-30-4) is a chemical compound with molecular formula C16H21BrCl2N2O and molecular weight 406.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrate;dihydrochloride
Also Known As: Zimeldine hydrochloride, (Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrate;dihydrochloride
| Molecular Formula | C16H21BrCl2N2O |
|---|---|
| Molecular Weight | 406.02 g/mol |
| LogP | 3.86 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.02142 |
| Heavy Atoms | 22 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 61129-30-4 |
|---|---|
| SMILES | CN(C)CC=C(C1=CC=C(C=C1)Br)C2=CN=CC=C2.O.Cl.Cl |
| InChIKey | WFUAVXYXJOQWAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zimeldine hydrochloride (CAS 61129-30-4), with molecular formula C16H21BrCl2N2O and molecular weight 406.02 g/mol. IUPAC: 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrate;dihydrochloride.
Chemical Property Profile of Zimeldine hydrochloride
Property Insights of Zimeldine hydrochloride
The XLogP value of 3.86 indicates that Zimeldine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Zimeldine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zimeldine hydrochloride has 3 hydrogen bond donor(s) and 3 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 Zimeldine hydrochloride?
The CAS number of Zimeldine hydrochloride is 61129-30-4.
What is the molecular formula of Zimeldine hydrochloride?
The molecular formula of Zimeldine hydrochloride is C16H21BrCl2N2O.
What is the molecular weight of Zimeldine hydrochloride?
The molecular weight of Zimeldine hydrochloride is 406.02 g/mol.
Where can I buy Zimeldine hydrochloride?
You can request a quote for Zimeldine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zimeldine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Zimeldine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.