N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide
TL;DR: N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide (CAS 77985-02-5) is a chemical compound with molecular formula C17H21IN2S and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl(2-phenothiazin-10-ylethyl)azanium iodide
Also Known As: Trimethyl(2-phenothiazin-10-ylethyl)ammonium iodide, trimethyl(2-phenothiazin-10-ylethyl)azanium iodide, (2-(10-Phenothiazinyl)ethyl)trimethylammonium iodide, N-(beta-Dimethylamino-ethyl)-phenothiazine-metho-iodide, Phenothiazine, 10-(2-(dimethylamino)ethyl)-, methyliodide
| Molecular Formula | C17H21IN2S |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.04703 |
| Heavy Atoms | 21 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 77985-02-5 |
|---|---|
| SMILES | C[N+](C)(C)CCN1C2=CC=CC=C2SC3=CC=CC=C31.[I-] |
| InChIKey | NUBUGWJISZCDCY-UHFFFAOYSA-M |
Product Overview
N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide (CAS 77985-02-5), with molecular formula C17H21IN2S and molecular weight 412.05 g/mol. IUPAC: trimethyl(2-phenothiazin-10-ylethyl)azanium iodide.
Chemical Property Profile of N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide
Property Insights of N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide. With a topological polar surface area (TPSA) of 28.5 Ų, N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium 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 N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide?
The CAS number of N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide is 77985-02-5.
What is the molecular formula of N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide?
The molecular formula of N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide is C17H21IN2S.
What is the molecular weight of N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide?
The molecular weight of N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide is 412.05 g/mol.
Where can I buy N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide?
You can request a quote for N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for N,N,N-Trimethyl-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.