Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride
TL;DR: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride (CAS 68263-33-2) is a chemical compound with molecular formula C21H26ClNS and molecular weight 359.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z)-3-(2-ethyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride
Also Known As: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride, N,N-Dimethyl-2-ethyldibenzo(b,e)thiepin-delta(sup 11(6H)gamma)propylamine hydrochloride, [(3Z)-3-(2-ethyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride, 3-(2-ethyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium;chloride, RefChem:1083330
| Molecular Formula | C21H26ClNS |
|---|---|
| Molecular Weight | 359.15 g/mol |
| LogP | 0.825 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.14746 |
| Heavy Atoms | 24 |
| Complexity | 721.52875 |
Chemical Identifiers
| CAS Number | 68263-33-2 |
|---|---|
| SMILES | CCC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C/CC[NH+](C)C.[Cl-] |
Product Overview
Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride (CAS 68263-33-2), with molecular formula C21H26ClNS and molecular weight 359.15 g/mol. IUPAC: [(3Z)-3-(2-ethyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride.
Chemical Property Profile of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride
Property Insights of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride
The XLogP value of 0.825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride. With a topological polar surface area (TPSA) of 4.44 Ų, Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride has 1 hydrogen bond donor(s) and 1 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 Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride?
The CAS number of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride is 68263-33-2.
What is the molecular formula of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride?
The molecular formula of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride is C21H26ClNS.
What is the molecular weight of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride?
The molecular weight of Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride is 359.15 g/mol.
Where can I buy Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride?
You can request a quote for Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.