6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O
TL;DR: 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O (CAS 51723-54-7) is a chemical compound with molecular formula C21H28Cl2N2O6S3 and molecular weight 570.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-dichloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O, Piperazine, 1-(6,8-dichloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate, 1-(1,3-dichloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(6,8-dichloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1), RefChem:372409
| Molecular Formula | C21H28Cl2N2O6S3 |
|---|---|
| Molecular Weight | 570.05 g/mol |
| LogP | 3.9972 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 570.04865 |
| Heavy Atoms | 34 |
| Complexity | 1154.9846 |
Chemical Identifiers
| CAS Number | 51723-54-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4Cl)Cl.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O (CAS 51723-54-7), with molecular formula C21H28Cl2N2O6S3 and molecular weight 570.05 g/mol. IUPAC: 1-(1,3-dichloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O
Property Insights of 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O
The XLogP value of 3.9972 indicates that 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O. Following Lipinski's Rule of Five, 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O?
The CAS number of 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O is 51723-54-7.
What is the molecular formula of 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O?
The molecular formula of 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O is C21H28Cl2N2O6S3.
What is the molecular weight of 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O?
The molecular weight of 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O is 570.05 g/mol.
Where can I buy 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O?
You can request a quote for 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dichloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.