Mequitamium Iodide
TL;DR: Mequitamium Iodide (CAS 101396-42-3) is a chemical compound with molecular formula C21H25IN2S and molecular weight 464.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Mequitamium Iodide
10-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl]phenothiazine iodide
Also Known As: Mequitamium Iodide, Mequitazium iodide, Mequitazium, Mequitamii iodidum, Ioduro de mequitamio
| Molecular Formula | C21H25IN2S |
|---|---|
| Molecular Weight | 464.08 g/mol |
| LogP | 1.78 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.0783 |
| Heavy Atoms | 25 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 101396-42-3 |
|---|---|
| SMILES | C[N+]12CCC(CC1)C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53.[I-] |
| InChIKey | SWVANDLDSRKJFI-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mequitamium Iodide (CAS 101396-42-3), with molecular formula C21H25IN2S and molecular weight 464.08 g/mol. IUPAC: 10-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl]phenothiazine iodide.
Chemical Property Profile of Mequitamium Iodide
Property Insights of Mequitamium Iodide
The XLogP value of 1.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mequitamium Iodide. With a topological polar surface area (TPSA) of 28.5 Ų, Mequitamium Iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mequitamium Iodide has 0 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 Mequitamium Iodide?
The CAS number of Mequitamium Iodide is 101396-42-3.
What is the molecular formula of Mequitamium Iodide?
The molecular formula of Mequitamium Iodide is C21H25IN2S.
What is the molecular weight of Mequitamium Iodide?
The molecular weight of Mequitamium Iodide is 464.08 g/mol.
Where can I buy Mequitamium Iodide?
You can request a quote for Mequitamium Iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mequitamium Iodide?
Yes, KEHONG BIO provides custom synthesis services for Mequitamium Iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.