2-(4-Methylbenzylidene)malonic acid
TL;DR: 2-(4-Methylbenzylidene)malonic acid (CAS 21405-59-4) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)methylidene]propanedioic acid
Also Known As: 2-(4-Methylbenzylidene)malonic acid, (4-Methylbenzylidene)malonic acid, 2-(p-tolylmethylene)propanedioic acid, (4-methylbenzylidene)propanedioic acid, 3-(4-methylphenyl)-2-carboxy-2-propenoic acid
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 21405-59-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=C(C(=O)O)C(=O)O |
| InChIKey | DTESVSJGQRBZEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methylbenzylidene)malonic acid (CAS 21405-59-4), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 2-[(4-methylphenyl)methylidene]propanedioic acid.
Chemical Property Profile of 2-(4-Methylbenzylidene)malonic acid
Property Insights of 2-(4-Methylbenzylidene)malonic acid
The XLogP value of 3.1 indicates that 2-(4-Methylbenzylidene)malonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylbenzylidene)malonic acid. Following Lipinski's Rule of Five, 2-(4-Methylbenzylidene)malonic acid has 2 hydrogen bond donor(s) and 4 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-Methylbenzylidene)malonic acid?
The CAS number of 2-(4-Methylbenzylidene)malonic acid is 21405-59-4.
What is the molecular formula of 2-(4-Methylbenzylidene)malonic acid?
The molecular formula of 2-(4-Methylbenzylidene)malonic acid is C11H10O4.
What is the molecular weight of 2-(4-Methylbenzylidene)malonic acid?
The molecular weight of 2-(4-Methylbenzylidene)malonic acid is 206.06 g/mol.
Where can I buy 2-(4-Methylbenzylidene)malonic acid?
You can request a quote for 2-(4-Methylbenzylidene)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-Methylbenzylidene)malonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylbenzylidene)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.