Oxyprothepin 8-sulfoxide dihydrochloride
TL;DR: Oxyprothepin 8-sulfoxide dihydrochloride (CAS 41931-89-9) is a chemical compound with molecular formula C22H30Cl2N2O2S2 and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;dihydrochloride
Also Known As: Oxyprothepin 8-sulfoxide dihydrochloride, 4-(10,11-Dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 2HCl, 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, dihydrochloride, 1-Piperazinepropanol, 4-[10,11-dihydro-8-(methylsulfinyl)dibenzo[b,f]thiepin-10-yl]-, dihydrochloride, 3-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol dihydrochloride
| Molecular Formula | C22H30Cl2N2O2S2 |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 4.016 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.11258 |
| Heavy Atoms | 30 |
| Complexity | 860.7812 |
Chemical Identifiers
| CAS Number | 41931-89-9 |
|---|---|
| SMILES | CS(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO.Cl.Cl |
Product Overview
Oxyprothepin 8-sulfoxide dihydrochloride (CAS 41931-89-9), with molecular formula C22H30Cl2N2O2S2 and molecular weight 488.11 g/mol. IUPAC: 3-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;dihydrochloride.
Chemical Property Profile of Oxyprothepin 8-sulfoxide dihydrochloride
Property Insights of Oxyprothepin 8-sulfoxide dihydrochloride
The XLogP value of 4.016 indicates that Oxyprothepin 8-sulfoxide dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.78 Ų, Oxyprothepin 8-sulfoxide dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxyprothepin 8-sulfoxide dihydrochloride 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 Oxyprothepin 8-sulfoxide dihydrochloride?
The CAS number of Oxyprothepin 8-sulfoxide dihydrochloride is 41931-89-9.
What is the molecular formula of Oxyprothepin 8-sulfoxide dihydrochloride?
The molecular formula of Oxyprothepin 8-sulfoxide dihydrochloride is C22H30Cl2N2O2S2.
What is the molecular weight of Oxyprothepin 8-sulfoxide dihydrochloride?
The molecular weight of Oxyprothepin 8-sulfoxide dihydrochloride is 488.11 g/mol.
Where can I buy Oxyprothepin 8-sulfoxide dihydrochloride?
You can request a quote for Oxyprothepin 8-sulfoxide dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyprothepin 8-sulfoxide dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Oxyprothepin 8-sulfoxide dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.