Roxindole
TL;DR: Roxindole (CAS 125880-51-5) is a chemical compound with molecular formula C23H26N2O and molecular weight 346.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
Also Known As: Roxindole, roxindol, roxindolum, roxindole[inn], Roxindole [INN]
| Molecular Formula | C23H26N2O |
|---|---|
| Molecular Weight | 346.20 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.2045 |
| Heavy Atoms | 26 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 125880-51-5 |
|---|---|
| SMILES | C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)O |
| InChIKey | HGEYJZMMUGWEOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Roxindole (CAS 125880-51-5), with molecular formula C23H26N2O and molecular weight 346.20 g/mol. IUPAC: 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol.
Chemical Property Profile of Roxindole
Property Insights of Roxindole
The XLogP value of 4.6 indicates that Roxindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.3 Ų, Roxindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Roxindole has 2 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 Roxindole?
The CAS number of Roxindole is 125880-51-5.
What is the molecular formula of Roxindole?
The molecular formula of Roxindole is C23H26N2O.
What is the molecular weight of Roxindole?
The molecular weight of Roxindole is 346.20 g/mol.
Where can I buy Roxindole?
You can request a quote for Roxindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxindole?
Yes, KEHONG BIO provides custom synthesis services for Roxindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.