2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride
TL;DR: 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride (CAS 96075-41-1) is a chemical compound with molecular formula C26H30O7 and molecular weight 454.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-3-yl)acetyl] 2-(2,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-3-yl)acetate
Also Known As: (2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-yl)acetic anhydride, 2-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride, [2-(2,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-3-yl)acetyl] 2-(2,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-3-yl)acetate
| Molecular Formula | C26H30O7 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 4.65464 |
| Topological Polar Surface Area | 103.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.19916 |
| Heavy Atoms | 33 |
| Complexity | 1093.5715 |
Chemical Identifiers
| CAS Number | 96075-41-1 |
|---|---|
| SMILES | CC1=C(C2=C(O1)CC(CC2=O)(C)C)CC(=O)OC(=O)CC3=C(OC4=C3C(=O)CC(C4)(C)C)C |
Product Overview
2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride (CAS 96075-41-1), with molecular formula C26H30O7 and molecular weight 454.20 g/mol. IUPAC: [2-(2,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-3-yl)acetyl] 2-(2,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-3-yl)acetate.
Chemical Property Profile of 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride
Property Insights of 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride
The XLogP value of 4.65464 indicates that 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride. Following Lipinski's Rule of Five, 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride 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 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride?
The CAS number of 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride is 96075-41-1.
What is the molecular formula of 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride?
The molecular formula of 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride is C26H30O7.
What is the molecular weight of 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride?
The molecular weight of 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride is 454.20 g/mol.
Where can I buy 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride?
You can request a quote for 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-3-yl)acetic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.