Perathiepin methanesulfonate
TL;DR: Perathiepin methanesulfonate (CAS 41932-53-0) is a chemical compound with molecular formula C20H26N2O3S2 and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: Perathiepin methanesulfonate, 1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate, Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate, 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (1/1)
| Molecular Formula | C20H26N2O3S2 |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 3.1864 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 406.1385 |
| Heavy Atoms | 27 |
| Complexity | 870.3005 |
Chemical Identifiers
| CAS Number | 41932-53-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24.CS(=O)(=O)O |
Product Overview
Perathiepin methanesulfonate (CAS 41932-53-0), with molecular formula C20H26N2O3S2 and molecular weight 406.14 g/mol. IUPAC: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of Perathiepin methanesulfonate
Property Insights of Perathiepin methanesulfonate
The XLogP value of 3.1864 indicates that Perathiepin methanesulfonate 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 Perathiepin methanesulfonate. Following Lipinski's Rule of Five, Perathiepin methanesulfonate 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 Perathiepin methanesulfonate?
The CAS number of Perathiepin methanesulfonate is 41932-53-0.
What is the molecular formula of Perathiepin methanesulfonate?
The molecular formula of Perathiepin methanesulfonate is C20H26N2O3S2.
What is the molecular weight of Perathiepin methanesulfonate?
The molecular weight of Perathiepin methanesulfonate is 406.14 g/mol.
Where can I buy Perathiepin methanesulfonate?
You can request a quote for Perathiepin methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perathiepin methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Perathiepin methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.