2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate
TL;DR: 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate (CAS 57536-76-2) is a chemical compound with molecular formula C22H32N2O7S3 and molecular weight 532.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
Also Known As: 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate, Piperazine, 1-(10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, Methanesulfonic acid--1-(2-methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1), methanesulfonic acid; 1-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine, RefChem:371886
| Molecular Formula | C22H32N2O7S3 |
|---|---|
| Molecular Weight | 532.14 g/mol |
| LogP | 2.699 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 532.13715 |
| Heavy Atoms | 34 |
| Complexity | 1116.7708 |
Chemical Identifiers
| CAS Number | 57536-76-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=CC(=C3)OC)SC4=CC=CC=C24.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate (CAS 57536-76-2), with molecular formula C22H32N2O7S3 and molecular weight 532.14 g/mol. IUPAC: methanesulfonic acid;1-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine.
Chemical Property Profile of 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate
Property Insights of 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate
The XLogP value of 2.699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate. The TPSA of 124.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate. Following Lipinski's Rule of Five, 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
The CAS number of 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate is 57536-76-2.
What is the molecular formula of 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
The molecular formula of 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate is C22H32N2O7S3.
What is the molecular weight of 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
The molecular weight of 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate is 532.14 g/mol.
Where can I buy 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
You can request a quote for 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.