Clotiapine
TL;DR: Clotiapine (CAS 2058-52-8) is a chemical compound with molecular formula C18H18ClN3S and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
Also Known As: Clothiapine, Clotiapine, Entumin, Entumine, Etumine
| Molecular Formula | C18H18ClN3S |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.091 |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 2058-52-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
| InChIKey | KAAZGXDPUNNEFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clotiapine (CAS 2058-52-8), with molecular formula C18H18ClN3S and molecular weight 343.09 g/mol. IUPAC: 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine.
Chemical Property Profile of Clotiapine
Property Insights of Clotiapine
The XLogP value of 3.6 indicates that Clotiapine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Clotiapine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clotiapine 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 Clotiapine?
The CAS number of Clotiapine is 2058-52-8.
What is the molecular formula of Clotiapine?
The molecular formula of Clotiapine is C18H18ClN3S.
What is the molecular weight of Clotiapine?
The molecular weight of Clotiapine is 343.09 g/mol.
Where can I buy Clotiapine?
You can request a quote for Clotiapine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clotiapine?
Yes, KEHONG BIO provides custom synthesis services for Clotiapine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.