Amitriptyline Hydrochloride
TL;DR: Amitriptyline Hydrochloride (CAS 549-18-8) is a chemical compound with molecular formula C20H24ClN and molecular weight 313.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochloride
Also Known As: Amitriptyline hydrochloride, Amitriptyline HCl, Annoyltin, Tryptizol, Syneudon
| Molecular Formula | C20H24ClN |
|---|---|
| Molecular Weight | 313.16 g/mol |
| LogP | 4.59 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.15973 |
| Heavy Atoms | 22 |
| Complexity | 331.0 |
| Solubility | >47.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 549-18-8 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl |
| InChIKey | KFYRPLNVJVHZGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amitriptyline Hydrochloride (CAS 549-18-8), with molecular formula C20H24ClN and molecular weight 313.16 g/mol. IUPAC: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochloride.
Chemical Property Profile of Amitriptyline Hydrochloride
Property Insights of Amitriptyline Hydrochloride
The XLogP value of 4.59 indicates that Amitriptyline Hydrochloride 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 Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Amitriptyline Hydrochloride has 1 hydrogen bond donor(s) and 1 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 Amitriptyline Hydrochloride?
The CAS number of Amitriptyline Hydrochloride is 549-18-8.
What is the molecular formula of Amitriptyline Hydrochloride?
The molecular formula of Amitriptyline Hydrochloride is C20H24ClN.
What is the molecular weight of Amitriptyline Hydrochloride?
The molecular weight of Amitriptyline Hydrochloride is 313.16 g/mol.
Where can I buy Amitriptyline Hydrochloride?
You can request a quote for Amitriptyline Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amitriptyline Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Amitriptyline Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.