![1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone structure](/static/products/1493/149333-77-7.webp)
1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone
TL;DR: 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone (CAS 149333-77-7) is a chemical compound with molecular formula C17H20N4O5 and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-3-yl]ethanone
Also Known As: BAS 00337600, AB00076444-01, A0517/0023942, 1,1'-(5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)diethanone, 1-[3-acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone
| Molecular Formula | C17H20N4O5 |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | 0.7051 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.14337 |
| Heavy Atoms | 26 |
| Complexity | 749.86285 |
Chemical Identifiers
| CAS Number | 149333-77-7 |
|---|---|
| SMILES | CC(=O)N1CC2(CN(C1)CN(C2)C(=O)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone (CAS 149333-77-7), with molecular formula C17H20N4O5 and molecular weight 360.14 g/mol. IUPAC: 1-[7-acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-3-yl]ethanone.
Chemical Property Profile of 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone
Property Insights of 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone
The XLogP value of 0.7051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone. Following Lipinski's Rule of Five, 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone 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
Frequently Asked Questions
What is the CAS number of 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone?
The CAS number of 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone is 149333-77-7.
What is the molecular formula of 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone?
The molecular formula of 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone is C17H20N4O5.
What is the molecular weight of 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone?
The molecular weight of 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone is 360.14 g/mol.
Where can I buy 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone?
You can request a quote for 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-Acetyl-5-(4-nitrobenzoyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.