![Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate structure](/static/products/110/110817-47-5.webp)
Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate
TL;DR: Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate (CAS 110817-47-5) is a chemical compound with molecular formula C21H24O4 and molecular weight 340.16745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]benzoate
Also Known As: methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate, AN-652/42191165, methyl 2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]benzoate
Technical Specifications
| Molecular Formula | C21H24O4 |
| Molecular Weight | 340.16745 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.16745 Da |
| Heavy Atoms | 25 |
| Complexity | 437.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC=CC=C2C(=O)OC |
| InChIKey | JSLDFKUIJRNGOL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate
Property Insights of Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate
The XLogP value of 5.2 indicates that Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate?
The CAS number of Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate is 110817-47-5.
What is the molecular formula of Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate?
The molecular formula of Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate is C21H24O4.
What is the molecular weight of Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate?
The molecular weight of Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate is 340.16745 g/mol.
Where can I buy Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate?
You can request a quote for Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-{[2-(4-isobutylphenyl)propanoyl]oxy}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.