![(3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone structure](/static/products/1490/149034-81-1.webp)
(3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
TL;DR: (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone (CAS 149034-81-1) is a chemical compound with molecular formula C14H16N4O3 and molecular weight 288.12225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanone
Also Known As: BAS 00337599, 1,3,5-triazaadamantan-7-yl(3-nitrophenyl)methanone, (3-nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone, (1R,3S,7R)-1,3,5-triazaadamantan-7-yl(3-nitrophenyl)methanone, {3-nitrophenyl}(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
Technical Specifications
| Molecular Formula | C14H16N4O3 |
| Molecular Weight | 288.12225 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.12225 Da |
| Heavy Atoms | 21 |
| Complexity | 434.0 |
| SMILES | C1C2(CN3CN1CN(C2)C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | IGZHOJVHMBULCK-UHFFFAOYSA-N |
Chemical Property Profile of (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
Property Insights of (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone. Following Lipinski's Rule of Five, (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone has 0 hydrogen bond donor(s) and 6 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-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
The CAS number of (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone is 149034-81-1.
What is the molecular formula of (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
The molecular formula of (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone is C14H16N4O3.
What is the molecular weight of (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
The molecular weight of (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone is 288.12225 g/mol.
Where can I buy (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
You can request a quote for (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
Yes, CoreyChem provides custom synthesis services for (3-Nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.