2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran
TL;DR: 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran (CAS 128753-96-8) 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.
(7b-methyldioxeto[3,4-b][1]benzofuran-2a-yl)methyl acetate
Also Known As: (7b-methyldioxeto[3,4-b][1]benzofuran-2a-yl)methyl acetate, 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran, (7b-Methyl[1,2]dioxeto[3,4-b][1]benzofuran-2a(7bH)-yl)methyl acetate, 2A-(ACETYLOXYMETHYL)-2A,7B-DIHYDRO-7B-METHYL-1,2-DIOXETO[3,4-B]BENZOFURAN
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 128753-96-8 |
|---|---|
| SMILES | CC(=O)OCC12C(C3=CC=CC=C3O1)(OO2)C |
| InChIKey | XOZXSVNFAFZRLK-UHFFFAOYSA-N |
Product Overview
2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran (CAS 128753-96-8), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: (7b-methyldioxeto[3,4-b][1]benzofuran-2a-yl)methyl acetate.
Chemical Property Profile of 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran
Property Insights of 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran. With a topological polar surface area (TPSA) of 54.0 Ų, 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-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 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran?
The CAS number of 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran is 128753-96-8.
What is the molecular formula of 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran?
The molecular formula of 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran is C12H12O5.
What is the molecular weight of 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran?
The molecular weight of 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran is 236.07 g/mol.
Where can I buy 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran?
You can request a quote for 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-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 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 2a-(Acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.