1-(p-Chlorophenyl)acetone
TL;DR: 1-(p-Chlorophenyl)acetone (CAS 5586-88-9) is a chemical compound with molecular formula C9H9ClO and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)propan-2-one
Also Known As: 4-Chlorophenylacetone, 1-(4-chlorophenyl)propan-2-one, 1-(4-Chlorophenyl)acetone, 1-(p-Chlorophenyl)acetone, Sodium hydnocarpate
| Molecular Formula | C9H9ClO |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0342 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 5586-88-9 |
|---|---|
| SMILES | CC(=O)CC1=CC=C(C=C1)Cl |
| InChIKey | WEJRYKSUUFKMBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(p-Chlorophenyl)acetone (CAS 5586-88-9), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 1-(4-chlorophenyl)propan-2-one.
Chemical Property Profile of 1-(p-Chlorophenyl)acetone
Property Insights of 1-(p-Chlorophenyl)acetone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Chlorophenyl)acetone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(p-Chlorophenyl)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Chlorophenyl)acetone has 0 hydrogen bond donor(s) and 1 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 1-(p-Chlorophenyl)acetone?
The CAS number of 1-(p-Chlorophenyl)acetone is 5586-88-9.
What is the molecular formula of 1-(p-Chlorophenyl)acetone?
The molecular formula of 1-(p-Chlorophenyl)acetone is C9H9ClO.
What is the molecular weight of 1-(p-Chlorophenyl)acetone?
The molecular weight of 1-(p-Chlorophenyl)acetone is 168.03 g/mol.
Where can I buy 1-(p-Chlorophenyl)acetone?
You can request a quote for 1-(p-Chlorophenyl)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Chlorophenyl)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Chlorophenyl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.