2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate
TL;DR: 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate (CAS 474376-58-4) is a chemical compound with molecular formula C19H17NO5 and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate
Also Known As: 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate, 2-oxo-2-phenylethyl (3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetate, 2-oxo-2-phenylethyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)acetate
| Molecular Formula | C19H17NO5 |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 1.2196 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.1107 |
| Heavy Atoms | 25 |
| Complexity | 754.26404 |
Chemical Identifiers
| CAS Number | 474376-58-4 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC=CC=C4 |
Product Overview
2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate (CAS 474376-58-4), with molecular formula C19H17NO5 and molecular weight 339.11 g/mol. IUPAC: phenacyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate.
Chemical Property Profile of 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate
Property Insights of 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate
The XLogP value of 1.2196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate. Following Lipinski's Rule of Five, 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate has 0 hydrogen bond donor(s) and 5 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 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate?
The CAS number of 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate is 474376-58-4.
What is the molecular formula of 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate?
The molecular formula of 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate is C19H17NO5.
What is the molecular weight of 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate?
The molecular weight of 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate is 339.11 g/mol.
Where can I buy 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate?
You can request a quote for 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-phenylethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.