N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate
TL;DR: N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate (CAS 81320-49-2) is a chemical compound with molecular formula C19H20Cl3NO2 and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,3-dichloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]pyrrolidine;hydrochloride
Also Known As: N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate, Pyrrolidine, 1-(2-(7,8-dichloro-11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-, hydrochloride, (+-)-, 1-[2-(2,3-dichloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]pyrrolidine hydrochloride, 1-[2-(7,8-Dichloro-11H-dibenzo[b,e][1,4]dioxepin-11-yl)ethyl]pyrrolidine--hydrogen chloride (1/1), RefChem:377975
| Molecular Formula | C19H20Cl3NO2 |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 6.1269 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.05597 |
| Heavy Atoms | 25 |
| Complexity | 747.4442 |
Chemical Identifiers
| CAS Number | 81320-49-2 |
|---|---|
| SMILES | C1CCN(C1)CCC2C3=CC=CC=C3OC4=CC(=C(C=C4O2)Cl)Cl.Cl |
Product Overview
N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate (CAS 81320-49-2), with molecular formula C19H20Cl3NO2 and molecular weight 399.06 g/mol. IUPAC: 1-[2-(2,3-dichloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]pyrrolidine;hydrochloride.
Chemical Property Profile of N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate
Property Insights of N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate
The XLogP value of 6.1269 indicates that N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate?
The CAS number of N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate is 81320-49-2.
What is the molecular formula of N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate?
The molecular formula of N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate is C19H20Cl3NO2.
What is the molecular weight of N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate?
The molecular weight of N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate is 399.06 g/mol.
Where can I buy N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate?
You can request a quote for N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate?
Yes, KEHONG BIO provides custom synthesis services for N-Tetramethylene 2-(7,8-dichlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine chlorhydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.