![2-[1-(4-Chlorophenyl)propyl]malonic acid structure](/static/products/827/82756-60-3.png)
2-[1-(4-Chlorophenyl)propyl]malonic acid
TL;DR: 2-[1-(4-Chlorophenyl)propyl]malonic acid (CAS 82756-60-3) is a chemical compound with molecular formula C12H13ClO4 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)propyl]propanedioic acid
Also Known As: 2-[1-(4-chlorophenyl)propyl]malonic acid, 2-[1-(4-chlorophenyl)propyl]propanedioic acid, AJ-333/36117014
| Molecular Formula | C12H13ClO4 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 2.619 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.05023 |
| Heavy Atoms | 17 |
| Complexity | 399.01874 |
Chemical Identifiers
| CAS Number | 82756-60-3 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)Cl)C(C(=O)O)C(=O)O |
Product Overview
2-[1-(4-Chlorophenyl)propyl]malonic acid (CAS 82756-60-3), with molecular formula C12H13ClO4 and molecular weight 256.05 g/mol. IUPAC: 2-[1-(4-chlorophenyl)propyl]propanedioic acid.
Chemical Property Profile of 2-[1-(4-Chlorophenyl)propyl]malonic acid
Property Insights of 2-[1-(4-Chlorophenyl)propyl]malonic acid
The XLogP value of 2.619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(4-Chlorophenyl)propyl]malonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(4-Chlorophenyl)propyl]malonic acid. Following Lipinski's Rule of Five, 2-[1-(4-Chlorophenyl)propyl]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-[1-(4-Chlorophenyl)propyl]malonic acid?
The CAS number of 2-[1-(4-Chlorophenyl)propyl]malonic acid is 82756-60-3.
What is the molecular formula of 2-[1-(4-Chlorophenyl)propyl]malonic acid?
The molecular formula of 2-[1-(4-Chlorophenyl)propyl]malonic acid is C12H13ClO4.
What is the molecular weight of 2-[1-(4-Chlorophenyl)propyl]malonic acid?
The molecular weight of 2-[1-(4-Chlorophenyl)propyl]malonic acid is 256.05 g/mol.
Where can I buy 2-[1-(4-Chlorophenyl)propyl]malonic acid?
You can request a quote for 2-[1-(4-Chlorophenyl)propyl]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-[1-(4-Chlorophenyl)propyl]malonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-Chlorophenyl)propyl]malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.