(+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride
TL;DR: (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride (CAS 81320-47-0) is a chemical compound with molecular formula C17H20ClNOS and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6H-benzo[c][1,5]benzoxathiepin-6-yl)-N,N-dimethylethanamine;hydrochloride
Also Known As: (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride, N-Dimethyl 2-(dibenzo(b,e)(1,4)oxathiepin-11-yl)ethylamine hydrochloride [French], 11H-Dibenzo(b,e)(1,4)oxathiepin-11-ethanamine, N,N-dimethyl-, hydrochloride, (+-)-, N-Dimethyl 2-(dibenzo(b,e)(1,4)oxathiepin-11-yl)ethylamine hydrochloride, 2-(6H-benzo[c][1,5]benzoxathiepin-6-yl)-N,N-dimethylethanamine hydrochloride
| Molecular Formula | C17H20ClNOS |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 4.6448 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0954 |
| Heavy Atoms | 21 |
| Complexity | 602.84894 |
Chemical Identifiers
| CAS Number | 81320-47-0 |
|---|---|
| SMILES | CN(C)CCC1C2=CC=CC=C2SC3=CC=CC=C3O1.Cl |
Product Overview
(+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride (CAS 81320-47-0), with molecular formula C17H20ClNOS and molecular weight 321.10 g/mol. IUPAC: 2-(6H-benzo[c][1,5]benzoxathiepin-6-yl)-N,N-dimethylethanamine;hydrochloride.
Chemical Property Profile of (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride
Property Insights of (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride
The XLogP value of 4.6448 indicates that (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride 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-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride?
The CAS number of (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride is 81320-47-0.
What is the molecular formula of (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride?
The molecular formula of (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride is C17H20ClNOS.
What is the molecular weight of (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride?
The molecular weight of (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride is 321.10 g/mol.
Where can I buy (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride?
You can request a quote for (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (+-)-N,N-Dimethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.