Desmethyl-methiothepin methanesulfonate
TL;DR: Desmethyl-methiothepin methanesulfonate (CAS 74611-34-0) is a chemical compound with molecular formula C20H26N2O3S3 and molecular weight 438.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: Desmethyl-methiothepin methanesulfonate, 8-Methylthio-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin monomethanesulfonate, 1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)piperazine methanesulfonate, Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate, Methanesulfonic acid--1-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (1/1)
| Molecular Formula | C20H26N2O3S3 |
|---|---|
| Molecular Weight | 438.11 g/mol |
| LogP | 3.5661 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.11057 |
| Heavy Atoms | 28 |
| Complexity | 904.662 |
Chemical Identifiers
| CAS Number | 74611-34-0 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCNCC4.CS(=O)(=O)O |
Product Overview
Desmethyl-methiothepin methanesulfonate (CAS 74611-34-0), with molecular formula C20H26N2O3S3 and molecular weight 438.11 g/mol. IUPAC: methanesulfonic acid;1-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of Desmethyl-methiothepin methanesulfonate
Property Insights of Desmethyl-methiothepin methanesulfonate
The XLogP value of 3.5661 indicates that Desmethyl-methiothepin methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethyl-methiothepin methanesulfonate. Following Lipinski's Rule of Five, Desmethyl-methiothepin methanesulfonate has 2 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 Desmethyl-methiothepin methanesulfonate?
The CAS number of Desmethyl-methiothepin methanesulfonate is 74611-34-0.
What is the molecular formula of Desmethyl-methiothepin methanesulfonate?
The molecular formula of Desmethyl-methiothepin methanesulfonate is C20H26N2O3S3.
What is the molecular weight of Desmethyl-methiothepin methanesulfonate?
The molecular weight of Desmethyl-methiothepin methanesulfonate is 438.11 g/mol.
Where can I buy Desmethyl-methiothepin methanesulfonate?
You can request a quote for Desmethyl-methiothepin methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethyl-methiothepin methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Desmethyl-methiothepin methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.