Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride
TL;DR: Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride (CAS 55025-15-5) is a chemical compound with molecular formula C19H28Cl2N2S and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-11-(2-pyrrolidin-1-ylethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine;hydrochloride
Also Known As: Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride, 2-chloro-11-(2-pyrrolidin-1-ylethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine hydrochloride, 2-Chloro-11-[2-(pyrrolidin-1-yl)ethyl]-5a,6,7,8,9,10,10a,11-octahydrobenzo[b]cyclohepta[e][1,4]thiazine--hydrogen chloride (1/1), Benzo[b]cyclohepta[e][1,4]thiazine, 2-chloro-5a,6,7,8,9,10,10a,11-octahydro-11-[2-(1-pyrrolidinyl)ethyl]-, monohydrochloride, RefChem:326120
| Molecular Formula | C19H28Cl2N2S |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 5.471 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.13504 |
| Heavy Atoms | 24 |
| Complexity | 548.1684 |
Chemical Identifiers
| CAS Number | 55025-15-5 |
|---|---|
| SMILES | C1CCC2C(CC1)SC3=C(N2CCN4CCCC4)C=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-(1-pyrrolidinyl)ethyl)-, hydrochloride (CAS 55025-15-5), with molecular formula C19H28Cl2N2S and molecular weight 386.14 g/mol. IUPAC: 2-chloro-11-(2-pyrrolidin-1-ylethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine;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-(1-pyrrolidinyl)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-(1-pyrrolidinyl)ethyl)-, hydrochloride
The XLogP value of 5.471 indicates that Benzo(b)cyclohepta(e)(1,4)thiazine, 5a,6,7,8,9,10,10a,11-octahydro-2-chloro-11-(2-(1-pyrrolidinyl)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-(1-pyrrolidinyl)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-(1-pyrrolidinyl)ethyl)-, 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-(2-(1-pyrrolidinyl)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-(1-pyrrolidinyl)ethyl)-, hydrochloride is 55025-15-5.
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-(1-pyrrolidinyl)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-(1-pyrrolidinyl)ethyl)-, hydrochloride is C19H28Cl2N2S.
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-(1-pyrrolidinyl)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-(1-pyrrolidinyl)ethyl)-, hydrochloride is 386.14 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-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride?
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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-(1-pyrrolidinyl)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-(1-pyrrolidinyl)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.