Amitriptyline
TL;DR: Amitriptyline (CAS 50-48-6) is a chemical compound with molecular formula C20H23N and molecular weight 277.18304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Also Known As: amitriptyline, Amitriptylin, Seroten, Damitriptyline, Triptanol
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H23N |
| Molecular Weight | 277.18304 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.18304 Da |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
| Melting Point | 196-197 |
| Boiling Point | 410.26°C (rough estimate) |
| Solubility | freely soluble in water |
| SMILES | CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 |
| InChIKey | KRMDCWKBEZIMAB-UHFFFAOYSA-N |
Product Description
Applications: Amitriptyline 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 Amitriptyline (CAS 50-48-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Amitriptyline (CAS 50-48-6) is a pharmaceutical intermediate with the molecular formula C20H23N and a molecular weight of 277.18 g/mol. Key physical properties include a solubility: freely soluble in water. It is also known as amitriptyline and Amitriptylin.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Amitriptyline
Property Insights of Amitriptyline
The XLogP value of 5.0 indicates that Amitriptyline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Amitriptyline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Amitriptyline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Amitriptyline?
The CAS number of Amitriptyline is 50-48-6.
What is the molecular formula of Amitriptyline?
The molecular formula of Amitriptyline is C20H23N.
What is the molecular weight of Amitriptyline?
The molecular weight of Amitriptyline is 277.18304 g/mol.
What are the applications of Amitriptyline?
Amitriptyline 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 Amitriptyline (CAS 50-48-6) with custom...
Where can I buy Amitriptyline?
You can request a quote for Amitriptyline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Amitriptyline?
Yes, CoreyChem provides custom synthesis services for Amitriptyline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.