Ketanserinol
TL;DR: Ketanserinol (CAS 76330-73-9) is a chemical compound with molecular formula C22H24FN3O3 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
Also Known As: Ketanserinol, Reduced ketanserin, KETANSERIN_met004, KetanserinolReduced ketanserin, R 46742
| Molecular Formula | C22H24FN3O3 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.18018 |
| Heavy Atoms | 29 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 76330-73-9 |
|---|---|
| SMILES | C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCN3C(=O)C4=CC=CC=C4NC3=O |
| InChIKey | CSAITASUWRGAOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ketanserinol (CAS 76330-73-9), with molecular formula C22H24FN3O3 and molecular weight 397.18 g/mol. IUPAC: 3-[2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione.
Chemical Property Profile of Ketanserinol
Property Insights of Ketanserinol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketanserinol. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ketanserinol. Following Lipinski's Rule of Five, Ketanserinol has 2 hydrogen bond donor(s) and 5 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 Ketanserinol?
The CAS number of Ketanserinol is 76330-73-9.
What is the molecular formula of Ketanserinol?
The molecular formula of Ketanserinol is C22H24FN3O3.
What is the molecular weight of Ketanserinol?
The molecular weight of Ketanserinol is 397.18 g/mol.
Where can I buy Ketanserinol?
You can request a quote for Ketanserinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketanserinol?
Yes, KEHONG BIO provides custom synthesis services for Ketanserinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.