Desmethylnortriptyline
TL;DR: Desmethylnortriptyline (CAS 5430-47-7) is a chemical compound with molecular formula C18H19N and molecular weight 249.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Also Known As: Desmethylnortriptyline, Dinortriptyline, Desmethyl Nortriptyline, N,N-Dimethylamitriptyline, Lu-5-079
| Molecular Formula | C18H19N |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.15175 |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 5430-47-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=CCCN)C3=CC=CC=C31 |
| InChIKey | PTQFRALDEONNOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desmethylnortriptyline (CAS 5430-47-7), with molecular formula C18H19N and molecular weight 249.15 g/mol. IUPAC: 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine.
Chemical Property Profile of Desmethylnortriptyline
Property Insights of Desmethylnortriptyline
The XLogP value of 4.1 indicates that Desmethylnortriptyline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, Desmethylnortriptyline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desmethylnortriptyline 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 Desmethylnortriptyline?
The CAS number of Desmethylnortriptyline is 5430-47-7.
What is the molecular formula of Desmethylnortriptyline?
The molecular formula of Desmethylnortriptyline is C18H19N.
What is the molecular weight of Desmethylnortriptyline?
The molecular weight of Desmethylnortriptyline is 249.15 g/mol.
Where can I buy Desmethylnortriptyline?
You can request a quote for Desmethylnortriptyline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylnortriptyline?
Yes, KEHONG BIO provides custom synthesis services for Desmethylnortriptyline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.