Mequitamium
TL;DR: Mequitamium (CAS 101396-46-7) is a chemical compound with molecular formula C21H25N2S+ and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl]phenothiazine
Also Known As: Mequitamium, Mequitamium ion, Mequitamium cation, Mequitamium Iodide, 1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-(10H-phenothiazin-10-ylmethyl)-
| Molecular Formula | C21H25N2S+ |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.17386 |
| Heavy Atoms | 24 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 101396-46-7 |
|---|---|
| SMILES | C[N+]12CCC(CC1)C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53 |
| InChIKey | LRHZGVSONLULIX-UHFFFAOYSA-N |
Product Overview
Mequitamium (CAS 101396-46-7), with molecular formula C21H25N2S+ and molecular weight 337.17 g/mol. IUPAC: 10-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl]phenothiazine.
Chemical Property Profile of Mequitamium
Property Insights of Mequitamium
The XLogP value of 4.6 indicates that Mequitamium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, Mequitamium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mequitamium has 0 hydrogen bond donor(s) and 2 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?
The CAS number of Mequitamium is 101396-46-7.
What is the molecular formula of Mequitamium?
The molecular formula of Mequitamium is C21H25N2S+.
What is the molecular weight of Mequitamium?
The molecular weight of Mequitamium is 337.17 g/mol.
Where can I buy Mequitamium?
You can request a quote for Mequitamium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mequitamium?
Yes, KEHONG BIO provides custom synthesis services for Mequitamium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.