4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-
TL;DR: 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)- (CAS 52918-77-1) is a chemical compound with molecular formula C16H20O5 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-methyl-3,5-dioxo-1-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-en-8-yl) acetate
Also Known As: 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-, 5-Acetyloxy-3a,4,7,7a-tetrahydro-4-methyl-7- -4,7-ethanoisobenzofuran-1,3-dione, 7-methyl-3,5-dioxo-1-(propan-2-yl)-4-oxatricyclo[5.2.2.02,6]undec-8-en-8-yl acetate, 5-Acetyloxy-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-4,7-ethanoisobenzofuran-1,3-dione
| Molecular Formula | C16H20O5 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.13107 |
| Heavy Atoms | 21 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 52918-77-1 |
|---|---|
| SMILES | CC(C)C12CCC(C3C1C(=O)OC3=O)(C(=C2)OC(=O)C)C |
| InChIKey | TVAMMDMZPGZYJV-UHFFFAOYSA-N |
Product Overview
4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)- (CAS 52918-77-1), with molecular formula C16H20O5 and molecular weight 292.13 g/mol. IUPAC: (7-methyl-3,5-dioxo-1-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-en-8-yl) acetate.
Chemical Property Profile of 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-
Property Insights of 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-. Following Lipinski's Rule of Five, 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)- 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 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-?
The CAS number of 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)- is 52918-77-1.
What is the molecular formula of 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-?
The molecular formula of 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)- is C16H20O5.
What is the molecular weight of 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-?
The molecular weight of 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)- is 292.13 g/mol.
Where can I buy 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-?
You can request a quote for 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Ethanoisobenzofuran-1,3-dione, 5-(acetyloxy)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.