3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane
TL;DR: 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane (CAS 151860-15-0) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,5S)-3-benzyl-6-nitro-3-azabicyclo[3.1.0]hexane-2,4-dione
Also Known As: (1R,5S,6r)-3-Benzyl-6-nitro-3-azabicyclo[3.1.0]hexane-2,4-dione, EC 426-750-2, (1R,5S)-3-benzyl-6-nitro-3-azabicyclo[3.1.0]hexane-2,4-dione, 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane, 3-BENZYL-EXO-6-NITRO-2,4-DIOXO-3-AZA-CIS-BICYCLO[3.1.0]HEXANE
Technical Specifications
| Molecular Formula | C12H10N2O4 |
| Molecular Weight | 246.06406 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.06406 Da |
| Heavy Atoms | 18 |
| Complexity | 389.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@@H](C3[N+](=O)[O-])C2=O |
| InChIKey | WQIUUYJXPBMPQC-ULKQDVFKSA-N |
Chemical Property Profile of 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane
Property Insights of 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane. Following Lipinski's Rule of Five, 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane 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
What is the CAS number of 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane?
The CAS number of 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane is 151860-15-0.
What is the molecular formula of 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane?
The molecular formula of 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane is C12H10N2O4.
What is the molecular weight of 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane?
The molecular weight of 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane is 246.06406 g/mol.
Where can I buy 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane?
You can request a quote for 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane?
Yes, CoreyChem provides custom synthesis services for 3-Benzyl-exo-6-nitro-2,4-dioxo-3-aza-cis-bicyclo(3.1.0)hexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.