![(1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one structure](/static/products/121/1212125-75-1.webp)
(1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
TL;DR: (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CAS 1212125-75-1) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Technical Specifications
| Molecular Formula | C11H13N3O3 |
| Molecular Weight | 235.09569 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.09569 Da |
| Heavy Atoms | 17 |
| Complexity | 438.0 |
| SMILES | C1[C@H]2CN(CC1CN3C2=CC=CC3=O)[N+](=O)[O-] |
| InChIKey | BBPJTVIGLZZYBG-GKAPJAKFSA-N |
Chemical Property Profile of (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Property Insights of (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one. Following Lipinski's Rule of Five, (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The CAS number of (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is 1212125-75-1.
What is the molecular formula of (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The molecular formula of (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is C11H13N3O3.
What is the molecular weight of (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The molecular weight of (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is 235.09569 g/mol.
Where can I buy (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
You can request a quote for (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
Yes, CoreyChem provides custom synthesis services for (1S)-11-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.