3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium
TL;DR: 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium (CAS 5122-69-0) is a chemical compound with molecular formula C18H22ClN2OS+ and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium
Also Known As: 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium, 2-Chloro-10-[3-(trimethylaminio)propyl]-10H-phenothiazine 5-oxide, 3-(2-Chloro-5-oxo-5lambda~4~-phenothiazin-10(5H)-yl)-N,N,N-trimethylpropan-1-aminium, 2-chloro-10-[3-(trimethylazaniumyl)propyl]-5,10-dihydrophenothiazin-5-ium-5-olate
| Molecular Formula | C18H22ClN2OS+ |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.11414 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 5122-69-0 |
|---|---|
| SMILES | C[N+](C)(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl |
| InChIKey | NTLUSIBKSWJYOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium (CAS 5122-69-0), with molecular formula C18H22ClN2OS+ and molecular weight 349.11 g/mol. IUPAC: 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium.
Chemical Property Profile of 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium
Property Insights of 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium
The XLogP value of 3.9 indicates that 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium 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 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium?
The CAS number of 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium is 5122-69-0.
What is the molecular formula of 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium?
The molecular formula of 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium is C18H22ClN2OS+.
What is the molecular weight of 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium?
The molecular weight of 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium is 349.11 g/mol.
Where can I buy 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium?
You can request a quote for 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.