Doxepin
TL;DR: Doxepin (CAS 1668-19-5) is a chemical compound with molecular formula C19H21NO and molecular weight 279.16232 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: doxepin, Doxepine, Doxepina, Sinequan, Doxepinum
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H21NO |
| Molecular Weight | 279.16232 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.16232 Da |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| Melting Point | 185-191 ºC |
| Boiling Point | 154-157 ºC at 0.03 mmHg |
| Solubility | 31.6 |
| SMILES | CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31 |
| InChIKey | ODQWQRRAPPTVAG-UHFFFAOYSA-N |
Product Description
Applications: Doxepin 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 Doxepin (CAS 1668-19-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Doxepin is a pharmaceutical intermediate identified by CAS number 1668-19-5 and the molecular formula C19H21NO and a molecular weight of 279.16 g/mol. Physically, the compound has a solubility: 31.6. It is also known as doxepin and Doxepine.
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 Doxepin
Property Insights of Doxepin
The XLogP value of 4.3 indicates that Doxepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Doxepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Doxepin 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 Doxepin?
The CAS number of Doxepin is 1668-19-5.
What is the molecular formula of Doxepin?
The molecular formula of Doxepin is C19H21NO.
What is the molecular weight of Doxepin?
The molecular weight of Doxepin is 279.16232 g/mol.
What are the applications of Doxepin?
Doxepin 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 Doxepin (CAS 1668-19-5) with custom synthesis...
Where can I buy Doxepin?
You can request a quote for Doxepin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Doxepin?
Yes, CoreyChem provides custom synthesis services for Doxepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.