(4-Chlorophenyl)(oxo)acetaldehyde
TL;DR: (4-Chlorophenyl)(oxo)acetaldehyde (CAS 4996-21-8) is a chemical compound with molecular formula C8H5ClO2 and molecular weight 168.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-oxoacetaldehyde
Also Known As: 2-(4-chlorophenyl)-2-oxoacetaldehyde, p-chlorophenylglyoxal, 4-chlorophenylglyoxal, 4-chloro-phenylglyoxal, (4-chlorophenyl)(oxo)acetaldehyde
| Molecular Formula | C8H5ClO2 |
|---|---|
| Molecular Weight | 168.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.9978 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 4996-21-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=O)Cl |
| InChIKey | XVVGBFGMWMOBLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Chlorophenyl)(oxo)acetaldehyde (CAS 4996-21-8), with molecular formula C8H5ClO2 and molecular weight 168.00 g/mol. IUPAC: 2-(4-chlorophenyl)-2-oxoacetaldehyde.
Chemical Property Profile of (4-Chlorophenyl)(oxo)acetaldehyde
Property Insights of (4-Chlorophenyl)(oxo)acetaldehyde
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chlorophenyl)(oxo)acetaldehyde. With a topological polar surface area (TPSA) of 34.1 Ų, (4-Chlorophenyl)(oxo)acetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)(oxo)acetaldehyde 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)(oxo)acetaldehyde?
The CAS number of (4-Chlorophenyl)(oxo)acetaldehyde is 4996-21-8.
What is the molecular formula of (4-Chlorophenyl)(oxo)acetaldehyde?
The molecular formula of (4-Chlorophenyl)(oxo)acetaldehyde is C8H5ClO2.
What is the molecular weight of (4-Chlorophenyl)(oxo)acetaldehyde?
The molecular weight of (4-Chlorophenyl)(oxo)acetaldehyde is 168.00 g/mol.
Where can I buy (4-Chlorophenyl)(oxo)acetaldehyde?
You can request a quote for (4-Chlorophenyl)(oxo)acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)(oxo)acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)(oxo)acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.