Elbanizine
TL;DR: Elbanizine (CAS 121983-36-6) is a chemical compound with molecular formula C26H31N5O2 and molecular weight 445.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2,6-dimethyl-3-nitropyridin-4-amine
Also Known As: Elbanizine, elbanizina, Elbanizine [INN], elbanizinum, METHYLPENTAFLUOROBUT-3-ENOATE
| Molecular Formula | C26H31N5O2 |
|---|---|
| Molecular Weight | 445.25 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.24777 |
| Heavy Atoms | 33 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 121983-36-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)C)[N+](=O)[O-])NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | QMCHYTVPUAJEMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Elbanizine (CAS 121983-36-6), with molecular formula C26H31N5O2 and molecular weight 445.25 g/mol. IUPAC: N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2,6-dimethyl-3-nitropyridin-4-amine.
Chemical Property Profile of Elbanizine
Property Insights of Elbanizine
The XLogP value of 5.1 indicates that Elbanizine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Elbanizine. Following Lipinski's Rule of Five, Elbanizine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Elbanizine?
The CAS number of Elbanizine is 121983-36-6.
What is the molecular formula of Elbanizine?
The molecular formula of Elbanizine is C26H31N5O2.
What is the molecular weight of Elbanizine?
The molecular weight of Elbanizine is 445.25 g/mol.
Where can I buy Elbanizine?
You can request a quote for Elbanizine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elbanizine?
Yes, KEHONG BIO provides custom synthesis services for Elbanizine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.