1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione
TL;DR: 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione (CAS 66504-37-8) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Also Known As: 1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione, PAHD, 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione, 3-Azabicyclo[3.1.0]hexane-2,4-dione, 1-phenyl-, US10849982, Compd # 1
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 66504-37-8 |
|---|---|
| SMILES | C1C2C1(C(=O)NC2=O)C3=CC=CC=C3 |
| InChIKey | GBKKVNBNBVUCIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione (CAS 66504-37-8), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
Chemical Property Profile of 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione
Property Insights of 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione has 1 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 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione?
The CAS number of 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione is 66504-37-8.
What is the molecular formula of 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione?
The molecular formula of 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione is C11H9NO2.
What is the molecular weight of 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione?
The molecular weight of 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione is 187.06 g/mol.
Where can I buy 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione?
You can request a quote for 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-azabicyclo(3.1.0)hexane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.