(5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate
TL;DR: (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate (CAS 113974-82-6) is a chemical compound with molecular formula C17H24O10 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate
Also Known As: (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate, 1,2-Isopropylidene D,L-myo-Inositol Tetraacetate, 1,2-O-Isopropylidene-myo-inositol 3,4,5,6-tetraacetate, 1,2-O-(1-Methylethylidene)-DL-myo-inositol Tetraacetate, 2,2-Dimethylhexahydro-2H-1,3-benzodioxole-4,5,6,7-tetrayl tetraacetate
| Molecular Formula | C17H24O10 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.13693 |
| Heavy Atoms | 27 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 113974-82-6 |
|---|---|
| SMILES | CC(=O)OC1C2C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(O2)(C)C |
| InChIKey | XSWHBVWGSAGKTQ-UHFFFAOYSA-N |
Product Overview
(5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate (CAS 113974-82-6), with molecular formula C17H24O10 and molecular weight 388.14 g/mol. IUPAC: (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate.
Chemical Property Profile of (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate
Property Insights of (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate. Following Lipinski's Rule of Five, (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate has 0 hydrogen bond donor(s) and 10 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 (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate?
The CAS number of (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate is 113974-82-6.
What is the molecular formula of (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate?
The molecular formula of (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate is C17H24O10.
What is the molecular weight of (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate?
The molecular weight of (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate is 388.14 g/mol.
Where can I buy (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate?
You can request a quote for (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-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 (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.