![3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid structure](/static/products/1087/1087768-88-4.webp)
3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
TL;DR: 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid (CAS 1087768-88-4) is a chemical compound with molecular formula C19H19N3O8 and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,5-dinitro-8-oxo-9-phenacyl-3-azabicyclo[3.3.1]non-6-en-3-yl)propanoic acid
Also Known As: 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid, A3040/0128295, 1,5-Dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-ene-3-propanoic acid, 3-(1,5-dinitro-4-oxo-9-phenacyl-7-azabicyclo[3.3.1]non-2-en-7-yl)propanoic acid
| Molecular Formula | C19H19N3O8 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 0.8358 |
| Topological Polar Surface Area | 160.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.11722 |
| Heavy Atoms | 30 |
| Complexity | 946.3577 |
Chemical Identifiers
| CAS Number | 1087768-88-4 |
|---|---|
| SMILES | C1C2(C=CC(=O)C(C2CC(=O)C3=CC=CC=C3)(CN1CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid (CAS 1087768-88-4), with molecular formula C19H19N3O8 and molecular weight 417.12 g/mol. IUPAC: 3-(1,5-dinitro-8-oxo-9-phenacyl-3-azabicyclo[3.3.1]non-6-en-3-yl)propanoic acid.
Chemical Property Profile of 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
Property Insights of 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
The XLogP value of 0.8358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid. The TPSA of 160.96 Ų indicates high polarity, suggesting 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid has 1 hydrogen bond donor(s) and 8 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 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid?
The CAS number of 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid is 1087768-88-4.
What is the molecular formula of 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid?
The molecular formula of 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid is C19H19N3O8.
What is the molecular weight of 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid?
The molecular weight of 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid is 417.12 g/mol.
Where can I buy 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid?
You can request a quote for 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.