8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
TL;DR: 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate (CAS 61014-90-2) is a chemical compound with molecular formula C21H27ClN2O3S2 and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-ethylpiperazine;methanesulfonic acid
Also Known As: 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-ethyl-, monomethanesulfonate, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-ethylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-ethylpiperazine (1/1), RefChem:372444
| Molecular Formula | C21H27ClN2O3S2 |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 4.2299 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.11517 |
| Heavy Atoms | 29 |
| Complexity | 936.69244 |
Chemical Identifiers
| CAS Number | 61014-90-2 |
|---|---|
| SMILES | CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O |
Product Overview
8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate (CAS 61014-90-2), with molecular formula C21H27ClN2O3S2 and molecular weight 454.12 g/mol. IUPAC: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-ethylpiperazine;methanesulfonic acid.
Chemical Property Profile of 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
Property Insights of 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
The XLogP value of 4.2299 indicates that 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate. Following Lipinski's Rule of Five, 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate has 1 hydrogen bond donor(s) and 5 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 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
The CAS number of 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is 61014-90-2.
What is the molecular formula of 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
The molecular formula of 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is C21H27ClN2O3S2.
What is the molecular weight of 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
The molecular weight of 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is 454.12 g/mol.
Where can I buy 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
You can request a quote for 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-10-(4-ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.