N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide
TL;DR: N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide (CAS 111327-40-3) is a chemical compound with molecular formula C20H25BrN2OS and molecular weight 420.0871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-methyl-(3-oxo-3-phenothiazin-10-ylpropyl)azanium bromide
Also Known As: Diethylmethyl(2-(10-phenothiazinylcarbonyl)ethyl)ammonium bromide, AMMONIUM, DIETHYLMETHYL(2-(10-PHENOTHIAZINYLCARBONYL)ETHYL)-, BROMIDE, n,n-diethyl-n-methyl-3-oxo-3-(10h-phenothiazin-10-yl)propan-1-aminium bromide, 10H-Phenothiazine-10-propanaminium,N,N-diethyl-N-methyl-g-oxo-, bromide (1:1), diethyl-methyl-(3-oxo-3-phenothiazin-10-ylpropyl)azanium bromide
Technical Specifications
| Molecular Formula | C20H25BrN2OS |
| Molecular Weight | 420.0871 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.0871 Da |
| Heavy Atoms | 25 |
| Complexity | 415.0 |
| SMILES | CC[N+](C)(CC)CCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.[Br-] |
| InChIKey | JCBTXNGQTHLEKV-UHFFFAOYSA-M |
Chemical Property Profile of N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide
Property Insights of N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide. With a topological polar surface area (TPSA) of 45.6 Ų, N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide 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
What is the CAS number of N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide?
The CAS number of N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide is 111327-40-3.
What is the molecular formula of N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide?
The molecular formula of N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide is C20H25BrN2OS.
What is the molecular weight of N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide?
The molecular weight of N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide is 420.0871 g/mol.
Where can I buy N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide?
You can request a quote for N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide?
Yes, CoreyChem provides custom synthesis services for N,N-Diethyl-N-methyl-3-oxo-3-(10H-phenothiazin-10-yl)propan-1-aminium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.