3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate
TL;DR: 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate (CAS 484025-15-2) is a chemical compound with molecular formula C11H14O5 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3a-methyl-3,7-dioxo-4,5,6,7a-tetrahydro-1H-2-benzofuran-4-yl) acetate
Also Known As: 3a-methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate, (3a-methyl-3,7-dioxo-4,5,6,7a-tetrahydro-1H-2-benzofuran-4-yl) acetate
| Molecular Formula | C11H14O5 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 0.4603 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.08412 |
| Heavy Atoms | 16 |
| Complexity | 361.3864 |
Chemical Identifiers
| CAS Number | 484025-15-2 |
|---|---|
| SMILES | CC(=O)OC1CCC(=O)C2C1(C(=O)OC2)C |
Product Overview
3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate (CAS 484025-15-2), with molecular formula C11H14O5 and molecular weight 226.08 g/mol. IUPAC: (3a-methyl-3,7-dioxo-4,5,6,7a-tetrahydro-1H-2-benzofuran-4-yl) acetate.
Chemical Property Profile of 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate
Property Insights of 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate
The XLogP value of 0.4603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate. Following Lipinski's Rule of Five, 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-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 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate?
The CAS number of 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate is 484025-15-2.
What is the molecular formula of 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate?
The molecular formula of 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate is C11H14O5.
What is the molecular weight of 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate?
The molecular weight of 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate is 226.08 g/mol.
Where can I buy 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate?
You can request a quote for 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3a-Methyl-3,7-dioxooctahydro-2-benzofuran-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.