Mequitazine sulfoxide
TL;DR: Mequitazine sulfoxide (CAS 53485-07-7) is a chemical compound with molecular formula C20H22N2OS and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine 5-oxide
Also Known As: Mequitazine sulfoxide, mequitazinesulfoxide, Mequitazine S-oxide, Mequitazine M (sulfoxide), LM-209 SO
| Molecular Formula | C20H22N2OS |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.1453 |
| Heavy Atoms | 24 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 53485-07-7 |
|---|---|
| SMILES | C1CN2CCC1C(C2)CN3C4=CC=CC=C4S(=O)C5=CC=CC=C53 |
| InChIKey | GWHIBUGIPBSCCU-UHFFFAOYSA-N |
Product Overview
Mequitazine sulfoxide (CAS 53485-07-7), with molecular formula C20H22N2OS and molecular weight 338.15 g/mol. IUPAC: 10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine 5-oxide.
Chemical Property Profile of Mequitazine sulfoxide
Property Insights of Mequitazine sulfoxide
The XLogP value of 3.3 indicates that Mequitazine sulfoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, Mequitazine sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mequitazine sulfoxide 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 Mequitazine sulfoxide?
The CAS number of Mequitazine sulfoxide is 53485-07-7.
What is the molecular formula of Mequitazine sulfoxide?
The molecular formula of Mequitazine sulfoxide is C20H22N2OS.
What is the molecular weight of Mequitazine sulfoxide?
The molecular weight of Mequitazine sulfoxide is 338.15 g/mol.
Where can I buy Mequitazine sulfoxide?
You can request a quote for Mequitazine sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mequitazine sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Mequitazine sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.