Zotepine
TL;DR: Zotepine (CAS 26615-21-4) is a chemical compound with molecular formula C18H18ClNOS and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine
Also Known As: zotepine, Nipolept, Lodopin, Zotepina, Zoleptil
| Molecular Formula | C18H18ClNOS |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 37.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.07977 |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
| Melting Point | 90ºC |
| Boiling Point | 478.4ºC |
| Solubility | Poorly soluble |
Chemical Identifiers
| CAS Number | 26615-21-4 |
|---|---|
| SMILES | CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl |
| InChIKey | HDOZVRUNCMBHFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zotepine (CAS 26615-21-4), with molecular formula C18H18ClNOS and molecular weight 331.08 g/mol. IUPAC: 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylethanamine.
Chemical Property Profile of Zotepine
Property Insights of Zotepine
The XLogP value of 4.8 indicates that Zotepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.8 Ų, Zotepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zotepine has 0 hydrogen bond donor(s) and 3 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 Zotepine?
The CAS number of Zotepine is 26615-21-4.
What is the molecular formula of Zotepine?
The molecular formula of Zotepine is C18H18ClNOS.
What is the molecular weight of Zotepine?
The molecular weight of Zotepine is 331.08 g/mol.
Where can I buy Zotepine?
You can request a quote for Zotepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zotepine?
Yes, KEHONG BIO provides custom synthesis services for Zotepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.