4-Chlorophenyl Acetate
TL;DR: 4-Chlorophenyl Acetate (CAS 876-27-7) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) acetate
Also Known As: 4-Chlorophenyl acetate, p-Acetoxychlorobenzene, p-Chlorophenyl acetate, (4-chlorophenyl) acetate, 4-CHLOROPHENYLACETATE
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 876-27-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)Cl |
| InChIKey | KEUPLGRNURQXAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophenyl Acetate (CAS 876-27-7), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: (4-chlorophenyl) acetate.
Chemical Property Profile of 4-Chlorophenyl Acetate
Property Insights of 4-Chlorophenyl Acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl Acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chlorophenyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 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-Chlorophenyl Acetate?
The CAS number of 4-Chlorophenyl Acetate is 876-27-7.
What is the molecular formula of 4-Chlorophenyl Acetate?
The molecular formula of 4-Chlorophenyl Acetate is C8H7ClO2.
What is the molecular weight of 4-Chlorophenyl Acetate?
The molecular weight of 4-Chlorophenyl Acetate is 170.01 g/mol.
Where can I buy 4-Chlorophenyl Acetate?
You can request a quote for 4-Chlorophenyl Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl Acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.