Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride
TL;DR: Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride (CAS 54969-07-2) is a chemical compound with molecular formula C18H28Cl2N2S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride, 3-(2-chloro-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl)-N,N-dimethylpropan-1-amine hydrochloride, 3-(2-Chloro-6,7,8,9,10,10a-hexahydrobenzo[b]cyclohepta[e][1,4]thiazin-11(5aH)-yl)-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1), Benzo(b)cyclohepta(E)(1,4)thiazine,5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(3-(dimethylamino)propyl)-,hydrochloride, Benzo[b]cyclohepta[e][1,4]thiazine-11(5aH)-propanamine, 2-chloro-6,7,8,9,10,10a-hexahydro-N,N-dimethyl-, monohydrochloride
| Molecular Formula | C18H28Cl2N2S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 5.3269 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.13504 |
| Heavy Atoms | 23 |
| Complexity | 509.79498 |
Chemical Identifiers
| CAS Number | 54969-07-2 |
|---|---|
| SMILES | CN(C)CCCN1C2CCCCCC2SC3=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-(3-(dimethylamino)propyl)-, hydrochloride (CAS 54969-07-2), with molecular formula C18H28Cl2N2S and molecular weight 374.14 g/mol. IUPAC: 3-(2-chloro-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride.
Chemical Property Profile of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride
Property Insights of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride
The XLogP value of 5.3269 indicates that Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(3-(dimethylamino)propyl)-, 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-(3-(dimethylamino)propyl)-, 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-(3-(dimethylamino)propyl)-, 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-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride?
The CAS number of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride is 54969-07-2.
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-(3-(dimethylamino)propyl)-, hydrochloride?
The molecular formula of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride is C18H28Cl2N2S.
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-(3-(dimethylamino)propyl)-, hydrochloride?
The molecular weight of Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(3-(dimethylamino)propyl)-, hydrochloride is 374.14 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-(3-(dimethylamino)propyl)-, 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-(3-(dimethylamino)propyl)-, 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-(3-(dimethylamino)propyl)-, 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-(3-(dimethylamino)propyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.