3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate
TL;DR: 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate (CAS 143308-74-1) is a chemical compound with molecular formula C13H18O6 and molecular weight 270.11035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (3aR,7R,7aS)-7-acetyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
Also Known As: 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate, Methyl (3aR,7R,7aS)-7-acetoxy-2,2-dimethyl-3a,6,7,7a-tetrahydrobenzo[d][1,3]dioxole-5-carboxylate, (3R,4S,5R)-7-(Acetyloxy)-3a,6,7,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxole-5-carboxylic Acid Methyl Ester; (3R,4S,5R)-5-Hydroxy-3,4-(isopropylidenedioxy)-1-cyclohexene-1-carboxylic Acid Methyl Ester Acetate;, Methyl (3aR,7R,7aR)-7-acetyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydrobenzo[1,3]dioxole-5-carboxylate
Technical Specifications
| Molecular Formula | C13H18O6 |
| Molecular Weight | 270.11035 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.11035 Da |
| Heavy Atoms | 19 |
| Complexity | 425.0 |
| SMILES | CC(=O)O[C@@H]1CC(=C[C@@H]2[C@H]1OC(O2)(C)C)C(=O)OC |
| InChIKey | QUCISDCTZZNDBF-MXWKQRLJSA-N |
Chemical Property Profile of 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate
Property Insights of 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate. Following Lipinski's Rule of Five, 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate?
The CAS number of 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate is 143308-74-1.
What is the molecular formula of 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate?
The molecular formula of 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate is C13H18O6.
What is the molecular weight of 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate?
The molecular weight of 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate is 270.11035 g/mol.
Where can I buy 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate?
You can request a quote for 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate?
Yes, CoreyChem provides custom synthesis services for 3,4-(Isopropylidenedioxy) Shikimic Acid Methyl Ester Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.