地昔帕明
TL;DR: 地昔帕明 (CAS 50-47-5) is a chemical compound with molecular formula C18H22N2 and molecular weight 266.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地昔帕明
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
Also Known As: desipramine, Norimipramine, Desipramin, Desmethylimipramine, Desimipramine
| Molecular Formula | C18H22N2 |
|---|---|
| Molecular Weight | 266.18 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.17828 |
| Heavy Atoms | 20 |
| Complexity | 267.0 |
| Melting Point | 214-218 °C |
| Boiling Point | 172-174 °C @ 0.02 MM HG |
| Solubility | 58.6 |
Chemical Identifiers
| CAS Number | 50-47-5 |
|---|---|
| SMILES | CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31 |
| InChIKey | HCYAFALTSJYZDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地昔帕明 (CAS 50-47-5), with molecular formula C18H22N2 and molecular weight 266.18 g/mol. IUPAC: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine.
Chemical Property Profile of 地昔帕明
Property Insights of 地昔帕明
The XLogP value of 4.9 indicates that 地昔帕明 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, 地昔帕明 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 地昔帕明 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 地昔帕明?
The CAS number of 地昔帕明 is 50-47-5.
What is the molecular formula of 地昔帕明?
The molecular formula of 地昔帕明 is C18H22N2.
What is the molecular weight of 地昔帕明?
The molecular weight of 地昔帕明 is 266.18 g/mol.
Where can I buy 地昔帕明?
You can request a quote for 地昔帕明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地昔帕明?
Yes, KEHONG BIO provides custom synthesis services for 地昔帕明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.