Oxyprothepine
TL;DR: Oxyprothepine (CAS 29604-16-8) is a chemical compound with molecular formula C22H28N2OS2 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: Oxyprothepin, Oxyprothepine, OXYPROTHEPIN [WHO-DD], 4-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol, 1-FLUORO-2,4,6-TRIMETHYLPYRIDINIUMTETRAFLUOROBORATE
| Molecular Formula | C22H28N2OS2 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1643 |
| Heavy Atoms | 27 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 29604-16-8 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO |
| InChIKey | HQOCWPHRUQRXEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxyprothepine (CAS 29604-16-8), with molecular formula C22H28N2OS2 and molecular weight 400.16 g/mol. IUPAC: 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of Oxyprothepine
Property Insights of Oxyprothepine
The XLogP value of 3.9 indicates that Oxyprothepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxyprothepine. Following Lipinski's Rule of Five, Oxyprothepine 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 Oxyprothepine?
The CAS number of Oxyprothepine is 29604-16-8.
What is the molecular formula of Oxyprothepine?
The molecular formula of Oxyprothepine is C22H28N2OS2.
What is the molecular weight of Oxyprothepine?
The molecular weight of Oxyprothepine is 400.16 g/mol.
Where can I buy Oxyprothepine?
You can request a quote for Oxyprothepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyprothepine?
Yes, KEHONG BIO provides custom synthesis services for Oxyprothepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.