Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride
TL;DR: Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride (CAS 54969-09-4) is a chemical compound with molecular formula C17H26Cl2N2S and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl)-N,N-dimethylethanamine;hydrochloride
Also Known As: Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride, 2-(2-chloro-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl)-N,N-dimethylethanamine hydrochloride, 2-(2-Chloro-6,7,8,9,10,10a-hexahydrobenzo[b]cyclohepta[e][1,4]thiazin-11(5aH)-yl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1), Benzo[b]cyclohepta[e][1,4]thiazine-11(5aH)-ethanamine, 2-chloro-6,7,8,9,10,10a-hexahydro-N,N-dimethyl-, monohydrochloride, RefChem:326121
| Molecular Formula | C17H26Cl2N2S |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 4.9368 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.1194 |
| Heavy Atoms | 22 |
| Complexity | 495.54733 |
Chemical Identifiers
| CAS Number | 54969-09-4 |
|---|---|
| SMILES | CN(C)CCN1C2CCCCCC2SC3=C1C=C(C=C3)Cl.Cl |
Product Overview
Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride (CAS 54969-09-4), with molecular formula C17H26Cl2N2S and molecular weight 360.12 g/mol. IUPAC: 2-(2-chloro-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl)-N,N-dimethylethanamine;hydrochloride.
Chemical Property Profile of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride
Property Insights of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride
The XLogP value of 4.9368 indicates that Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, 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-2-chloro-11-(2-(dimethylamino)ethyl)-, 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-2-chloro-11-(2-(dimethylamino)ethyl)-, 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 Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride?
The CAS number of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride is 54969-09-4.
What is the molecular formula of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride?
The molecular formula of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride is C17H26Cl2N2S.
What is the molecular weight of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride?
The molecular weight of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride is 360.12 g/mol.
Where can I buy Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride?
You can request a quote for Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(dimethylamino)ethyl)-, 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-2-chloro-11-(2-(dimethylamino)ethyl)-, 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-2-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.