4-Chloro-3-methylphenyl acetate
TL;DR: 4-Chloro-3-methylphenyl acetate (CAS 54963-43-8) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-methylphenyl) acetate
Also Known As: 4-Chloro-3-methylphenyl acetate, Acetic acid 4-chloro-3-methylphenyl ester, Phenol, 4-chloro-3-methyl-, acetate, 4-Chloro-3-methylphenylacetate, Phenol, 4-chloro-3-methyl-, 1-acetate
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 54963-43-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(=O)C)Cl |
| InChIKey | LKKDOFSIQKPJLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3-methylphenyl acetate (CAS 54963-43-8), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: (4-chloro-3-methylphenyl) acetate.
Chemical Property Profile of 4-Chloro-3-methylphenyl acetate
Property Insights of 4-Chloro-3-methylphenyl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-methylphenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chloro-3-methylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-methylphenyl acetate 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
Frequently Asked Questions
What is the CAS number of 4-Chloro-3-methylphenyl acetate?
The CAS number of 4-Chloro-3-methylphenyl acetate is 54963-43-8.
What is the molecular formula of 4-Chloro-3-methylphenyl acetate?
The molecular formula of 4-Chloro-3-methylphenyl acetate is C9H9ClO2.
What is the molecular weight of 4-Chloro-3-methylphenyl acetate?
The molecular weight of 4-Chloro-3-methylphenyl acetate is 184.03 g/mol.
Where can I buy 4-Chloro-3-methylphenyl acetate?
You can request a quote for 4-Chloro-3-methylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-methylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-methylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.