Oxyprothepin mesylate
TL;DR: Oxyprothepin mesylate (CAS 34775-83-2) is a chemical compound with molecular formula C23H32N2O4S3 and molecular weight 496.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: Oxyprothepin mesylate, Oxyprothepin mesilate, Oxyprothepin methanesulfonate, Oxyprothepin mesilate [WHO-DD], 4-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)piperazinium methanesulphonate
| Molecular Formula | C23H32N2O4S3 |
|---|---|
| Molecular Weight | 496.15 g/mol |
| LogP | 3.6609 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.15244 |
| Heavy Atoms | 32 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 34775-83-2 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO.CS(=O)(=O)O |
| InChIKey | SBLPVDLCAZOCIQ-UHFFFAOYSA-N |
Product Overview
Oxyprothepin mesylate (CAS 34775-83-2), with molecular formula C23H32N2O4S3 and molecular weight 496.15 g/mol. IUPAC: methanesulfonic acid;3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of Oxyprothepin mesylate
Property Insights of Oxyprothepin mesylate
The XLogP value of 3.6609 indicates that Oxyprothepin mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Oxyprothepin mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxyprothepin mesylate has 2 hydrogen bond donor(s) and 8 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 Oxyprothepin mesylate?
The CAS number of Oxyprothepin mesylate is 34775-83-2.
What is the molecular formula of Oxyprothepin mesylate?
The molecular formula of Oxyprothepin mesylate is C23H32N2O4S3.
What is the molecular weight of Oxyprothepin mesylate?
The molecular weight of Oxyprothepin mesylate is 496.15 g/mol.
Where can I buy Oxyprothepin mesylate?
You can request a quote for Oxyprothepin mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyprothepin mesylate?
Yes, KEHONG BIO provides custom synthesis services for Oxyprothepin mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.