(4-Chlorophenyl) 3-methylbutanoate
TL;DR: (4-Chlorophenyl) 3-methylbutanoate (CAS 150272-54-1) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl) 3-methylbutanoate
Also Known As: 4-chlorophenyl 3-methylbutyrate, 4-chlorophenyl 3-methylbutanoate, (4-chlorophenyl) 3-methylbutanoate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.06041 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06041 Da |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
| SMILES | CC(C)CC(=O)OC1=CC=C(C=C1)Cl |
| InChIKey | LCYXOEPQVJDZHJ-UHFFFAOYSA-N |
Chemical Property Profile of (4-Chlorophenyl) 3-methylbutanoate
Property Insights of (4-Chlorophenyl) 3-methylbutanoate
The XLogP value of 3.8 indicates that (4-Chlorophenyl) 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Chlorophenyl) 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl) 3-methylbutanoate 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 (4-Chlorophenyl) 3-methylbutanoate?
The CAS number of (4-Chlorophenyl) 3-methylbutanoate is 150272-54-1.
What is the molecular formula of (4-Chlorophenyl) 3-methylbutanoate?
The molecular formula of (4-Chlorophenyl) 3-methylbutanoate is C11H13ClO2.
What is the molecular weight of (4-Chlorophenyl) 3-methylbutanoate?
The molecular weight of (4-Chlorophenyl) 3-methylbutanoate is 212.06041 g/mol.
Where can I buy (4-Chlorophenyl) 3-methylbutanoate?
You can request a quote for (4-Chlorophenyl) 3-methylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Chlorophenyl) 3-methylbutanoate?
Yes, CoreyChem provides custom synthesis services for (4-Chlorophenyl) 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.