Ditisan (base)
TL;DR: Ditisan (base) (CAS 2207-85-4) is a chemical compound with molecular formula C19H24N2O and molecular weight 296.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(11-oxido-5,6-dihydrobenzo[b][1]benzazepin-11-ium-11-yl)propan-1-amine
Also Known As: Ditisan (base), Imiprex, Imipramine N-oxide, IPNO, Imipramine Hydrochloride Impurity 12
| Molecular Formula | C19H24N2O |
|---|---|
| Molecular Weight | 296.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.18887 |
| Heavy Atoms | 22 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 2207-85-4 |
|---|---|
| SMILES | CN(C)CCC[N+]1(C2=CC=CC=C2CCC3=CC=CC=C31)[O-] |
| InChIKey | CADMPLPEJHVVFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ditisan (base) (CAS 2207-85-4), with molecular formula C19H24N2O and molecular weight 296.19 g/mol. IUPAC: N,N-dimethyl-3-(11-oxido-5,6-dihydrobenzo[b][1]benzazepin-11-ium-11-yl)propan-1-amine.
Chemical Property Profile of Ditisan (base)
Property Insights of Ditisan (base)
The XLogP value of 3.5 indicates that Ditisan (base) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, Ditisan (base) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ditisan (base) has 0 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 Ditisan (base)?
The CAS number of Ditisan (base) is 2207-85-4.
What is the molecular formula of Ditisan (base)?
The molecular formula of Ditisan (base) is C19H24N2O.
What is the molecular weight of Ditisan (base)?
The molecular weight of Ditisan (base) is 296.19 g/mol.
Where can I buy Ditisan (base)?
You can request a quote for Ditisan (base) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditisan (base)?
Yes, KEHONG BIO provides custom synthesis services for Ditisan (base) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.