Dothiepin
TL;DR: Dothiepin (CAS 113-53-1) is a chemical compound with molecular formula C19H21NS and molecular weight 295.13947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
度硫平
3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: Dothiepin, Dosulepin, Dosulepina, Dosulepine, Dosulepinum
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H21NS |
| Molecular Weight | 295.13947 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.13947 Da |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| Melting Point | 55-57 °C |
| Boiling Point | 171-172 °C |
| Vapor Pressure | 4.3X10-7 mm Hg @ 25 °C /Estimated/ |
| Solubility | In water, 1.5 mg/L @ 25 °C /Estimated/ |
| SMILES | CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31 |
| InChIKey | PHTUQLWOUWZIMZ-UHFFFAOYSA-N |
Product Description
Applications: Dothiepin 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. CoreyChem supplies Dothiepin (CAS 113-53-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Dothiepin (CAS 113-53-1) has the molecular formula C19H21NS and a molecular weight of 295.14 g/mol. Reported properties include a solubility: In water, 1.5 mg/L @ 25 °C /Estimated/. It is also known as Dothiepin and Dosulepin.
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 Dothiepin
Property Insights of Dothiepin
The XLogP value of 4.5 indicates that Dothiepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, Dothiepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dothiepin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dothiepin?
The CAS number of Dothiepin is 113-53-1.
What is the molecular formula of Dothiepin?
The molecular formula of Dothiepin is C19H21NS.
What is the molecular weight of Dothiepin?
The molecular weight of Dothiepin is 295.13947 g/mol.
What are the applications of Dothiepin?
Dothiepin 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. CoreyChem supplies Dothiepin (CAS 113-53-1) with custom...
Where can I buy Dothiepin?
You can request a quote for Dothiepin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dothiepin?
Yes, CoreyChem provides custom synthesis services for Dothiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.