![(3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate structure](/static/products/6332/63321-98-2.webp)
(3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate
TL;DR: (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate (CAS 63321-98-2) is a chemical compound with molecular formula C19H19NO6 and molecular weight 357.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate
Also Known As: (3-acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate, 3-(Acetyloxy)-6,7-dioxo-3-(prop-2-en-1-yl)-8-azabicyclo[3.2.1]octan-8-yl benzoate
| Molecular Formula | C19H19NO6 |
|---|---|
| Molecular Weight | 357.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.12125 |
| Heavy Atoms | 26 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 63321-98-2 |
|---|---|
| SMILES | CC(=O)OC1(CC2C(=O)C(=O)C(C1)N2OC(=O)C3=CC=CC=C3)CC=C |
| InChIKey | HJHJIHHVMPTNQS-UHFFFAOYSA-N |
Product Overview
(3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate (CAS 63321-98-2), with molecular formula C19H19NO6 and molecular weight 357.12 g/mol. IUPAC: (3-acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate.
Chemical Property Profile of (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate
Property Insights of (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate. Following Lipinski's Rule of Five, (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate has 0 hydrogen bond donor(s) and 7 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-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate?
The CAS number of (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate is 63321-98-2.
What is the molecular formula of (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate?
The molecular formula of (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate is C19H19NO6.
What is the molecular weight of (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate?
The molecular weight of (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate is 357.12 g/mol.
Where can I buy (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate?
You can request a quote for (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetyloxy-6,7-dioxo-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-8-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.