6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
TL;DR: 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate (CAS 67061-22-7) is a chemical compound with molecular formula C21H28N2O4S2 and molecular weight 436.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-(1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate, 1-(10,11-Dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate, Piperazine, 1-(10,11-dihydro-6-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, Methanesulfonic acid--1-(6-methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (1/1), methanesulfonic acid; 1-(1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
| Molecular Formula | C21H28N2O4S2 |
|---|---|
| Molecular Weight | 436.15 g/mol |
| LogP | 3.195 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 436.14905 |
| Heavy Atoms | 29 |
| Complexity | 933.4473 |
Chemical Identifiers
| CAS Number | 67061-22-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CC=C4OC.CS(=O)(=O)O |
Product Overview
6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate (CAS 67061-22-7), with molecular formula C21H28N2O4S2 and molecular weight 436.15 g/mol. IUPAC: methanesulfonic acid;1-(1-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
Property Insights of 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
The XLogP value of 3.195 indicates that 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate. Following Lipinski's Rule of Five, 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate has 1 hydrogen bond donor(s) and 6 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 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
The CAS number of 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is 67061-22-7.
What is the molecular formula of 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
The molecular formula of 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is C21H28N2O4S2.
What is the molecular weight of 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
The molecular weight of 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate is 436.15 g/mol.
Where can I buy 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
You can request a quote for 6-Methoxy-10-(4-methylpiperazino)-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 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.