2-(4-Chlorophenyl)malonaldehyde
TL;DR: 2-(4-Chlorophenyl)malonaldehyde (CAS 53868-40-9) is a chemical compound with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)propanedial
Also Known As: 2-(4-Chlorophenyl)malonaldehyde, 2-(4-chlorophenyl)propanedial, 2-(4-Chlorophenyl)malondialdehyde, Propanedial, 2-(4-chlorophenyl)-, 2,3,5-Trifluorobenzylamine
| Molecular Formula | C9H7ClO2 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 1.8214 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.01346 |
| Heavy Atoms | 12 |
| Complexity | 271.08493 |
Chemical Identifiers
| CAS Number | 53868-40-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C=O)C=O)Cl |
Product Overview
2-(4-Chlorophenyl)malonaldehyde (CAS 53868-40-9), with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol. IUPAC: 2-(4-chlorophenyl)propanedial.
Chemical Property Profile of 2-(4-Chlorophenyl)malonaldehyde
Property Insights of 2-(4-Chlorophenyl)malonaldehyde
The XLogP value of 1.8214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)malonaldehyde. With a topological polar surface area (TPSA) of 34.14 Ų, 2-(4-Chlorophenyl)malonaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)malonaldehyde 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-(4-Chlorophenyl)malonaldehyde?
The CAS number of 2-(4-Chlorophenyl)malonaldehyde is 53868-40-9.
What is the molecular formula of 2-(4-Chlorophenyl)malonaldehyde?
The molecular formula of 2-(4-Chlorophenyl)malonaldehyde is C9H7ClO2.
What is the molecular weight of 2-(4-Chlorophenyl)malonaldehyde?
The molecular weight of 2-(4-Chlorophenyl)malonaldehyde is 182.01 g/mol.
Where can I buy 2-(4-Chlorophenyl)malonaldehyde?
You can request a quote for 2-(4-Chlorophenyl)malonaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)malonaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)malonaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.