Octoclothepine
TL;DR: Octoclothepine (CAS 13448-22-1) is a chemical compound with molecular formula C19H21ClN2S and molecular weight 344.1114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: Clorotepine, Octoclothepine, Octoclothepin, Clothepin, Clotepin
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H21ClN2S |
| Molecular Weight | 344.1114 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.1114 Da |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
| InChIKey | XRYLGRGAWQSVQW-UHFFFAOYSA-N |
Product Description
Applications: Octoclothepine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Octoclothepine is a pharmaceutical intermediate identified by CAS number 13448-22-1 and the molecular formula C19H21ClN2S and a molecular weight of 344.11 g/mol. Synonyms include Clorotepine and Octoclothepine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Octoclothepine
Property Insights of Octoclothepine
The XLogP value of 4.3 indicates that Octoclothepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, Octoclothepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octoclothepine 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
What is the CAS number of Octoclothepine?
The CAS number of Octoclothepine is 13448-22-1.
What is the molecular formula of Octoclothepine?
The molecular formula of Octoclothepine is C19H21ClN2S.
What is the molecular weight of Octoclothepine?
The molecular weight of Octoclothepine is 344.1114 g/mol.
What are the applications of Octoclothepine?
Octoclothepine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Octoclothepine?
You can request a quote for Octoclothepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octoclothepine?
Yes, CoreyChem provides custom synthesis services for Octoclothepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.