Roxoperone
TL;DR: Roxoperone (CAS 2804-00-4) is a chemical compound with molecular formula C19H23FN2O3 and molecular weight 346.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
Also Known As: Roxoperone, Roxoperonum, Roxoperon, roxoperona, Roxoperone [INN]
| Molecular Formula | C19H23FN2O3 |
|---|---|
| Molecular Weight | 346.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.16928 |
| Heavy Atoms | 25 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 2804-00-4 |
|---|---|
| SMILES | CN1C(=O)CC2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | YJPFLFAWBYRCEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Roxoperone (CAS 2804-00-4), with molecular formula C19H23FN2O3 and molecular weight 346.17 g/mol. IUPAC: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.
Chemical Property Profile of Roxoperone
Property Insights of Roxoperone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roxoperone. With a topological polar surface area (TPSA) of 57.7 Ų, Roxoperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Roxoperone has 0 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 Roxoperone?
The CAS number of Roxoperone is 2804-00-4.
What is the molecular formula of Roxoperone?
The molecular formula of Roxoperone is C19H23FN2O3.
What is the molecular weight of Roxoperone?
The molecular weight of Roxoperone is 346.17 g/mol.
Where can I buy Roxoperone?
You can request a quote for Roxoperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxoperone?
Yes, KEHONG BIO provides custom synthesis services for Roxoperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.