Methyl 4-chlorophenylacetate
TL;DR: Methyl 4-chlorophenylacetate (CAS 52449-43-1) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.02911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4-chlorophenyl)acetate
Also Known As: Methyl 4-chlorophenylacetate, methyl 2-(4-chlorophenyl)acetate, Methyl (4-chlorophenyl)acetate, glycopyrroniumbromide, zlchem 382
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.02911 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.02911 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | COC(=O)CC1=CC=C(C=C1)Cl |
| InChIKey | WWIYGBWRUXQDND-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-chlorophenylacetate
Property Insights of Methyl 4-chlorophenylacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chlorophenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-chlorophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chlorophenylacetate 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 Methyl 4-chlorophenylacetate?
The CAS number of Methyl 4-chlorophenylacetate is 52449-43-1.
What is the molecular formula of Methyl 4-chlorophenylacetate?
The molecular formula of Methyl 4-chlorophenylacetate is C9H9ClO2.
What is the molecular weight of Methyl 4-chlorophenylacetate?
The molecular weight of Methyl 4-chlorophenylacetate is 184.02911 g/mol.
Where can I buy Methyl 4-chlorophenylacetate?
You can request a quote for Methyl 4-chlorophenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-chlorophenylacetate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-chlorophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.