2-(4-Chlorobenzyl)malonic acid
TL;DR: 2-(4-Chlorobenzyl)malonic acid (CAS 21405-64-1) is a chemical compound with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]propanedioic acid
Also Known As: 2-(4-Chlorobenzyl)malonic acid, Pitolisant impurity 32, (4-chlorobenzyl)propanedioic acid, p-chlorobenzylm alonic acid, 2-[(4-chlorophenyl)methyl]propanedioic Acid
| Molecular Formula | C10H9ClO4 |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 1.6679 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.01894 |
| Heavy Atoms | 15 |
| Complexity | 357.5137 |
Chemical Identifiers
| CAS Number | 21405-64-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)C(=O)O)Cl |
Product Overview
2-(4-Chlorobenzyl)malonic acid (CAS 21405-64-1), with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]propanedioic acid.
Chemical Property Profile of 2-(4-Chlorobenzyl)malonic acid
Property Insights of 2-(4-Chlorobenzyl)malonic acid
The XLogP value of 1.6679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorobenzyl)malonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorobenzyl)malonic acid. Following Lipinski's Rule of Five, 2-(4-Chlorobenzyl)malonic acid has 2 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-Chlorobenzyl)malonic acid?
The CAS number of 2-(4-Chlorobenzyl)malonic acid is 21405-64-1.
What is the molecular formula of 2-(4-Chlorobenzyl)malonic acid?
The molecular formula of 2-(4-Chlorobenzyl)malonic acid is C10H9ClO4.
What is the molecular weight of 2-(4-Chlorobenzyl)malonic acid?
The molecular weight of 2-(4-Chlorobenzyl)malonic acid is 228.02 g/mol.
Where can I buy 2-(4-Chlorobenzyl)malonic acid?
You can request a quote for 2-(4-Chlorobenzyl)malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorobenzyl)malonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorobenzyl)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.