8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate
TL;DR: 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate (CAS 55038-75-0) is a chemical compound with molecular formula C24H36N2O6S3 and molecular weight 544.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-methyl-4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate, Piperazine, 1-(10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, Methanesulfonic acid--1-methyl-4-[8-(propan-2-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (2/1), methanesulfonic acid; 1-methyl-4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine, Piperazine, 1-[10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-4-methyl-, dimethanesulfonate
| Molecular Formula | C24H36N2O6S3 |
|---|---|
| Molecular Weight | 544.17 g/mol |
| LogP | 3.8138 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 544.1735 |
| Heavy Atoms | 35 |
| Complexity | 1145.4902 |
Chemical Identifiers
| CAS Number | 55038-75-0 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate (CAS 55038-75-0), with molecular formula C24H36N2O6S3 and molecular weight 544.17 g/mol. IUPAC: methanesulfonic acid;1-methyl-4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate
Property Insights of 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate
The XLogP value of 3.8138 indicates that 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate 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 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate. Following Lipinski's Rule of Five, 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate 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 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
The CAS number of 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate is 55038-75-0.
What is the molecular formula of 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
The molecular formula of 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate is C24H36N2O6S3.
What is the molecular weight of 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
The molecular weight of 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate is 544.17 g/mol.
Where can I buy 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
You can request a quote for 8-Isopropyl-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 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 8-Isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.