3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate
TL;DR: 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate (CAS 84964-83-0) is a chemical compound with molecular formula C21H28N2O3S2 and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-methyl-4-(2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate, 1-(10,11-Dihydro-7-methyldibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate, Piperazine, 1-(10,11-dihydro-7-methyldibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate, Methanesulfonic acid--1-methyl-4-(7-methyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine (1/1), methanesulfonic acid; 1-methyl-4-(2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
| Molecular Formula | C21H28N2O3S2 |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 3.49482 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 420.15414 |
| Heavy Atoms | 28 |
| Complexity | 914.998 |
Chemical Identifiers
| CAS Number | 84964-83-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(CC3=CC=CC=C3S2)N4CCN(CC4)C.CS(=O)(=O)O |
Product Overview
3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate (CAS 84964-83-0), with molecular formula C21H28N2O3S2 and molecular weight 420.15 g/mol. IUPAC: methanesulfonic acid;1-methyl-4-(2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate
Property Insights of 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate
The XLogP value of 3.49482 indicates that 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate 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 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate. Following Lipinski's Rule of Five, 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate 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 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate?
The CAS number of 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate is 84964-83-0.
What is the molecular formula of 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate?
The molecular formula of 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate is C21H28N2O3S2.
What is the molecular weight of 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate?
The molecular weight of 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate is 420.15 g/mol.
Where can I buy 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate?
You can request a quote for 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.