(2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl
TL;DR: (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl (CAS 27223-90-1) is a chemical compound with molecular formula C25H27ClFNOS and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl-[(3-fluorophenyl)methyl]-dimethylazanium chloride
Also Known As: (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl, Ammonium, (2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)-, chloride, 2-(6,11-dihydrodibenzo[b,e]thiepin-11-yloxy)-n-(3-fluorobenzyl)-n,n-dimethylethanaminium chloride, 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl-[(3-fluorophenyl)methyl]-dimethylazanium chloride, 2-[(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)oxy]-N-[(3-fluorophenyl)methyl]-N,N-dimethylethan-1-aminium chloride
| Molecular Formula | C25H27ClFNOS |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 2.818 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1486 |
| Heavy Atoms | 30 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 27223-90-1 |
|---|---|
| SMILES | C[N+](C)(CCOC1C2=CC=CC=C2CSC3=CC=CC=C13)CC4=CC(=CC=C4)F.[Cl-] |
| InChIKey | YOBDELHCSRQWFS-UHFFFAOYSA-M |
Product Overview
(2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl (CAS 27223-90-1), with molecular formula C25H27ClFNOS and molecular weight 443.15 g/mol. IUPAC: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl-[(3-fluorophenyl)methyl]-dimethylazanium chloride.
Chemical Property Profile of (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl
Property Insights of (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl
The XLogP value of 2.818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl. With a topological polar surface area (TPSA) of 34.5 Ų, (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl has 0 hydrogen bond donor(s) and 4 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 (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl?
The CAS number of (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl is 27223-90-1.
What is the molecular formula of (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl?
The molecular formula of (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl is C25H27ClFNOS.
What is the molecular weight of (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl?
The molecular weight of (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl is 443.15 g/mol.
Where can I buy (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl?
You can request a quote for (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl?
Yes, KEHONG BIO provides custom synthesis services for (2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl(m-fluorobenzyl)ammonium Cl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.