6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran
TL;DR: 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran (CAS 128753-91-3) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2a,7b-dimethyldioxeto[3,4-b][1]benzofuran-6-yl) acetate
Also Known As: (2a,7b-dimethyldioxeto[3,4-b][1]benzofuran-6-yl) acetate, 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran, 2a,7b-dimethyl-2a,7b-dihydro[1,2]dioxeto[3,4-b][1]benzofuran-6-yl acetate, 6-(ACETYLOXY)-2A,7B-DIHYDRO-2A,7B-DIMETHYL-1,2-DIOXETO[3,4-B]BENZOFURAN
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 128753-91-3 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)OC3(C2(OO3)C)C |
| InChIKey | OHYSXRQLTVCSOQ-UHFFFAOYSA-N |
Product Overview
6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran (CAS 128753-91-3), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: (2a,7b-dimethyldioxeto[3,4-b][1]benzofuran-6-yl) acetate.
Chemical Property Profile of 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran
Property Insights of 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran. With a topological polar surface area (TPSA) of 54.0 Ų, 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran 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 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran?
The CAS number of 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran is 128753-91-3.
What is the molecular formula of 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran?
The molecular formula of 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran is C12H12O5.
What is the molecular weight of 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran?
The molecular weight of 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran is 236.07 g/mol.
Where can I buy 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran?
You can request a quote for 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 6-(Acetyloxy)-2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.