6-Hydroxyketanserin
TL;DR: 6-Hydroxyketanserin (CAS 115994-49-5) is a chemical compound with molecular formula C22H22FN3O4 and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1H-quinazoline-2,4-dione
Also Known As: 6-Hydroxyketanserin, 6-hydroxy ketanserin, 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1H-quinazoline-2,4-dione, 2,4(1H,3H)-Quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-6-hydroxy-, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-6-hydroxy-2,4(1H,3H)-quinazolinedione
| Molecular Formula | C22H22FN3O4 |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.15942 |
| Heavy Atoms | 30 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 115994-49-5 |
|---|---|
| SMILES | C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=CC(=C4)O)NC3=O |
| InChIKey | RUNBHHBPEINURQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Hydroxyketanserin (CAS 115994-49-5), with molecular formula C22H22FN3O4 and molecular weight 411.16 g/mol. IUPAC: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1H-quinazoline-2,4-dione.
Chemical Property Profile of 6-Hydroxyketanserin
Property Insights of 6-Hydroxyketanserin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxyketanserin. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Hydroxyketanserin. Following Lipinski's Rule of Five, 6-Hydroxyketanserin has 2 hydrogen bond donor(s) and 6 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 6-Hydroxyketanserin?
The CAS number of 6-Hydroxyketanserin is 115994-49-5.
What is the molecular formula of 6-Hydroxyketanserin?
The molecular formula of 6-Hydroxyketanserin is C22H22FN3O4.
What is the molecular weight of 6-Hydroxyketanserin?
The molecular weight of 6-Hydroxyketanserin is 411.16 g/mol.
Where can I buy 6-Hydroxyketanserin?
You can request a quote for 6-Hydroxyketanserin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxyketanserin?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxyketanserin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.