Benanserin
TL;DR: Benanserin (CAS 441-91-8) is a chemical compound with molecular formula C19H22N2O and molecular weight 294.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine
Also Known As: Benanserin, BENANSERINE, Benzyl antiserotonin, 1-Benzyl-2-methyl-5-methoxytryptamine, 3-(2-hydroxyethoxy)benzaldehyde
| Molecular Formula | C19H22N2O |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.17322 |
| Heavy Atoms | 22 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 441-91-8 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CCN |
| InChIKey | RPSOLZRELOLSFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benanserin (CAS 441-91-8), with molecular formula C19H22N2O and molecular weight 294.17 g/mol. IUPAC: 2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethanamine.
Chemical Property Profile of Benanserin
Property Insights of Benanserin
The XLogP value of 3.3 indicates that Benanserin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, Benanserin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benanserin 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 Benanserin?
The CAS number of Benanserin is 441-91-8.
What is the molecular formula of Benanserin?
The molecular formula of Benanserin is C19H22N2O.
What is the molecular weight of Benanserin?
The molecular weight of Benanserin is 294.17 g/mol.
Where can I buy Benanserin?
You can request a quote for Benanserin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benanserin?
Yes, KEHONG BIO provides custom synthesis services for Benanserin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.