4-(Chloromethyl)phenyl acetate
TL;DR: 4-(Chloromethyl)phenyl acetate (CAS 39720-27-9) 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-(chloromethyl)phenyl] acetate
Also Known As: 4-(Chloromethyl)phenyl acetate, [4-(chloromethyl)phenyl] acetate, p-Acetoxybenzyl chloride, 4-acetoxybenzyl chloride, p-acetoxybenzylchloride
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 39720-27-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)CCl |
| InChIKey | OKRCXSCDWKJWSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Chloromethyl)phenyl acetate (CAS 39720-27-9), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: [4-(chloromethyl)phenyl] acetate.
Chemical Property Profile of 4-(Chloromethyl)phenyl acetate
Property Insights of 4-(Chloromethyl)phenyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)phenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(Chloromethyl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)phenyl 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-(Chloromethyl)phenyl acetate?
The CAS number of 4-(Chloromethyl)phenyl acetate is 39720-27-9.
What is the molecular formula of 4-(Chloromethyl)phenyl acetate?
The molecular formula of 4-(Chloromethyl)phenyl acetate is C9H9ClO2.
What is the molecular weight of 4-(Chloromethyl)phenyl acetate?
The molecular weight of 4-(Chloromethyl)phenyl acetate is 184.03 g/mol.
Where can I buy 4-(Chloromethyl)phenyl acetate?
You can request a quote for 4-(Chloromethyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.