Doxaminol
TL;DR: Doxaminol (CAS 55286-56-1) is a chemical compound with molecular formula C26H29NO3 and molecular weight 403.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethyl-methylamino]-3-phenoxypropan-2-ol
Also Known As: Doxaminol, Doxaminolum, Doxaminol [INN], Doxaminolum [INN-Latin], 6,11-Dihydro-N-(2-hydroxy-3-phenoxypropyl)-N-methyldibenz(b,e)oxepin-11-ethylamine
| Molecular Formula | C26H29NO3 |
|---|---|
| Molecular Weight | 403.21 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.21475 |
| Heavy Atoms | 30 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 55286-56-1 |
|---|---|
| SMILES | CN(CCC1C2=CC=CC=C2COC3=CC=CC=C13)CC(COC4=CC=CC=C4)O |
| InChIKey | SZQLTQPHXXXMNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Doxaminol (CAS 55286-56-1), with molecular formula C26H29NO3 and molecular weight 403.21 g/mol. IUPAC: 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethyl-methylamino]-3-phenoxypropan-2-ol.
Chemical Property Profile of Doxaminol
Property Insights of Doxaminol
The XLogP value of 4.6 indicates that Doxaminol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Doxaminol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Doxaminol has 1 hydrogen bond donor(s) and 4 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 Doxaminol?
The CAS number of Doxaminol is 55286-56-1.
What is the molecular formula of Doxaminol?
The molecular formula of Doxaminol is C26H29NO3.
What is the molecular weight of Doxaminol?
The molecular weight of Doxaminol is 403.21 g/mol.
Where can I buy Doxaminol?
You can request a quote for Doxaminol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doxaminol?
Yes, KEHONG BIO provides custom synthesis services for Doxaminol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.