Amitriptynol
TL;DR: Amitriptynol (CAS 1159-03-1) is a chemical compound with molecular formula C20H25NO and molecular weight 295.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Also Known As: Amitriptynol, Amitriptyline Impurity B, 5-(3-(Dimethylamino)propyl)-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol, Lariciresinoldimethylether, Amitriptyline EP Impurity D
| Molecular Formula | C20H25NO |
|---|---|
| Molecular Weight | 295.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1936 |
| Heavy Atoms | 22 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 1159-03-1 |
|---|---|
| SMILES | CN(C)CCCC1(C2=CC=CC=C2CCC3=CC=CC=C31)O |
| InChIKey | ONSQUXZPOPTSQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amitriptynol (CAS 1159-03-1), with molecular formula C20H25NO and molecular weight 295.19 g/mol. IUPAC: 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol.
Chemical Property Profile of Amitriptynol
Property Insights of Amitriptynol
The XLogP value of 3.6 indicates that Amitriptynol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Amitriptynol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Amitriptynol has 1 hydrogen bond donor(s) and 2 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 Amitriptynol?
The CAS number of Amitriptynol is 1159-03-1.
What is the molecular formula of Amitriptynol?
The molecular formula of Amitriptynol is C20H25NO.
What is the molecular weight of Amitriptynol?
The molecular weight of Amitriptynol is 295.19 g/mol.
Where can I buy Amitriptynol?
You can request a quote for Amitriptynol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amitriptynol?
Yes, KEHONG BIO provides custom synthesis services for Amitriptynol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.