Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride
TL;DR: Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride (CAS 40017-65-0) is a chemical compound with molecular formula C25H28ClNOS and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]-dimethylazanium chloride
Also Known As: Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride, Ammonium, benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethyl-, chloride, N-(2-(6,11-Dihydrodibenzo(b,e)thiepin-11-yloxy)ethyl)-N-benzyl-N,N-dimethylammonium chloride, n-benzyl-2-(6,11-dihydrodibenzo[b,e]thiepin-11-yloxy)-n,n-dimethylethanaminium chloride, benzyl-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]-dimethylazanium chloride
| Molecular Formula | C25H28ClNOS |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 2.6789 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.15802 |
| Heavy Atoms | 29 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 40017-65-0 |
|---|---|
| SMILES | C[N+](C)(CCOC1C2=CC=CC=C2CSC3=CC=CC=C13)CC4=CC=CC=C4.[Cl-] |
| InChIKey | QRNHIBMNHFSQOG-UHFFFAOYSA-M |
Product Overview
Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride (CAS 40017-65-0), with molecular formula C25H28ClNOS and molecular weight 425.16 g/mol. IUPAC: benzyl-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]-dimethylazanium chloride.
Chemical Property Profile of Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride
Property Insights of Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride
The XLogP value of 2.6789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride. With a topological polar surface area (TPSA) of 34.5 Ų, Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride 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 Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride?
The CAS number of Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride is 40017-65-0.
What is the molecular formula of Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride?
The molecular formula of Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride is C25H28ClNOS.
What is the molecular weight of Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride?
The molecular weight of Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride is 425.16 g/mol.
Where can I buy Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride?
You can request a quote for Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyl(2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)dimethylammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.