3-Methylbutyl 4-(propan-2-yl)benzoate
TL;DR: 3-Methylbutyl 4-(propan-2-yl)benzoate (CAS 106362-62-3) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbutyl 4-propan-2-ylbenzoate
Also Known As: 3-methylbutyl 4-(propan-2-yl)benzoate, 3-methylbutyl 4-propan-2-ylbenzoate
Technical Specifications
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.16199 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.16199 Da |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
| SMILES | CC(C)CCOC(=O)C1=CC=C(C=C1)C(C)C |
| InChIKey | CWHGLUSAELHATO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylbutyl 4-(propan-2-yl)benzoate
Property Insights of 3-Methylbutyl 4-(propan-2-yl)benzoate
The XLogP value of 4.6 indicates that 3-Methylbutyl 4-(propan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylbutyl 4-(propan-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 4-(propan-2-yl)benzoate has 0 hydrogen bond donor(s) and 2 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-Methylbutyl 4-(propan-2-yl)benzoate?
The CAS number of 3-Methylbutyl 4-(propan-2-yl)benzoate is 106362-62-3.
What is the molecular formula of 3-Methylbutyl 4-(propan-2-yl)benzoate?
The molecular formula of 3-Methylbutyl 4-(propan-2-yl)benzoate is C15H22O2.
What is the molecular weight of 3-Methylbutyl 4-(propan-2-yl)benzoate?
The molecular weight of 3-Methylbutyl 4-(propan-2-yl)benzoate is 234.16199 g/mol.
Where can I buy 3-Methylbutyl 4-(propan-2-yl)benzoate?
You can request a quote for 3-Methylbutyl 4-(propan-2-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylbutyl 4-(propan-2-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for 3-Methylbutyl 4-(propan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.