Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride
TL;DR: Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride (CAS 54969-12-9) is a chemical compound with molecular formula C20H30ClF3N2S and molecular weight 422.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[2-(trifluoromethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl]ethanamine;hydrochloride
Also Known As: Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride, Benzo[b]cyclohepta[e][1,4]thiazine-11(5aH)-ethanamine, N,N-diethyl-6,7,8,9,10,10a-hexahydro-2-(trifluoromethyl)-, monohydrochloride, N,N-diethyl-2-[2-(trifluoromethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl]ethanamine hydrochloride, N,N-Diethyl-2-[2-(trifluoromethyl)-6,7,8,9,10,10a-hexahydrobenzo[b]cyclohepta[e][1,4]thiazin-11(5aH)-yl]ethan-1-amine--hydrogen chloride (1/1), RefChem:326118
| Molecular Formula | C20H30ClF3N2S |
|---|---|
| Molecular Weight | 422.18 g/mol |
| LogP | 6.0824 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.17703 |
| Heavy Atoms | 27 |
| Complexity | 607.3799 |
Chemical Identifiers
| CAS Number | 54969-12-9 |
|---|---|
| SMILES | CCN(CC)CCN1C2CCCCCC2SC3=C1C=C(C=C3)C(F)(F)F.Cl |
Product Overview
Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride (CAS 54969-12-9), with molecular formula C20H30ClF3N2S and molecular weight 422.18 g/mol. IUPAC: N,N-diethyl-2-[2-(trifluoromethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl]ethanamine;hydrochloride.
Chemical Property Profile of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride
Property Insights of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride
The XLogP value of 6.0824 indicates that Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride 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 Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride?
The CAS number of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride is 54969-12-9.
What is the molecular formula of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride?
The molecular formula of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride is C20H30ClF3N2S.
What is the molecular weight of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride?
The molecular weight of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride is 422.18 g/mol.
Where can I buy Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride?
You can request a quote for Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-11-(2-(diethylamino)ethyl)-2-trifluoromethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.