2-Chlorophenyl acetate
TL;DR: 2-Chlorophenyl acetate (CAS 4525-75-1) 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.
(2-chlorophenyl) acetate
Also Known As: 2-Chlorophenyl acetate, o-Acetoxychlorobenzene, o-Chlorophenyl acetate, Phenol, acetate, (2-chlorophenyl) acetate
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 2.2 |
| 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 | 147.0 |
Chemical Identifiers
| CAS Number | 4525-75-1 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1Cl |
| InChIKey | CJPVPOYTTALCNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorophenyl acetate (CAS 4525-75-1), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: (2-chlorophenyl) acetate.
Chemical Property Profile of 2-Chlorophenyl acetate
Property Insights of 2-Chlorophenyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorophenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chlorophenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Chlorophenyl acetate?
The CAS number of 2-Chlorophenyl acetate is 4525-75-1.
What is the molecular formula of 2-Chlorophenyl acetate?
The molecular formula of 2-Chlorophenyl acetate is C8H7ClO2.
What is the molecular weight of 2-Chlorophenyl acetate?
The molecular weight of 2-Chlorophenyl acetate is 170.01 g/mol.
Where can I buy 2-Chlorophenyl acetate?
You can request a quote for 2-Chlorophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.