Azabuperone
TL;DR: Azabuperone (CAS 2856-81-7) is a chemical compound with molecular formula C17H23FN2O and molecular weight 290.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one
Also Known As: Azabuperone, Azabuperona, Azabuperonum, Azabutyrone, Azabuperone [INN]
| Molecular Formula | C17H23FN2O |
|---|---|
| Molecular Weight | 290.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.17944 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 2856-81-7 |
|---|---|
| SMILES | C1CC2CN(CCN2C1)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | PQLYZHNINGGVMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Azabuperone (CAS 2856-81-7), with molecular formula C17H23FN2O and molecular weight 290.18 g/mol. IUPAC: 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of Azabuperone
Property Insights of Azabuperone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azabuperone. With a topological polar surface area (TPSA) of 23.6 Ų, Azabuperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azabuperone has 0 hydrogen bond donor(s) and 4 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 Azabuperone?
The CAS number of Azabuperone is 2856-81-7.
What is the molecular formula of Azabuperone?
The molecular formula of Azabuperone is C17H23FN2O.
What is the molecular weight of Azabuperone?
The molecular weight of Azabuperone is 290.18 g/mol.
Where can I buy Azabuperone?
You can request a quote for Azabuperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azabuperone?
Yes, KEHONG BIO provides custom synthesis services for Azabuperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.