![2-[(2-methylphenyl)methyl]propanedioic Acid structure](/static/products/7860/78606-96-9.webp)
2-[(2-methylphenyl)methyl]propanedioic Acid
TL;DR: 2-[(2-methylphenyl)methyl]propanedioic Acid (CAS 78606-96-9) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylphenyl)methyl]propanedioic acid
Also Known As: 2-(2-Methylbenzyl)malonic acid, 2-[(2-methylphenyl)methyl]propanedioic Acid, (2-Methylbenzyl)malonic acid, 5,5-Dimethyl-1,3-dioxane, 2-(2-METHYLBENZYL)-MALONIC ACID
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.32292 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 369.92923 |
Chemical Identifiers
| CAS Number | 78606-96-9 |
|---|---|
| SMILES | CC1=CC=CC=C1CC(C(=O)O)C(=O)O |
Product Overview
2-[(2-methylphenyl)methyl]propanedioic Acid (CAS 78606-96-9), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 2-[(2-methylphenyl)methyl]propanedioic acid.
Chemical Property Profile of 2-[(2-methylphenyl)methyl]propanedioic Acid
Property Insights of 2-[(2-methylphenyl)methyl]propanedioic Acid
The XLogP value of 1.32292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-methylphenyl)methyl]propanedioic Acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-methylphenyl)methyl]propanedioic Acid. Following Lipinski's Rule of Five, 2-[(2-methylphenyl)methyl]propanedioic 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-[(2-methylphenyl)methyl]propanedioic Acid?
The CAS number of 2-[(2-methylphenyl)methyl]propanedioic Acid is 78606-96-9.
What is the molecular formula of 2-[(2-methylphenyl)methyl]propanedioic Acid?
The molecular formula of 2-[(2-methylphenyl)methyl]propanedioic Acid is C11H12O4.
What is the molecular weight of 2-[(2-methylphenyl)methyl]propanedioic Acid?
The molecular weight of 2-[(2-methylphenyl)methyl]propanedioic Acid is 208.07 g/mol.
Where can I buy 2-[(2-methylphenyl)methyl]propanedioic Acid?
You can request a quote for 2-[(2-methylphenyl)methyl]propanedioic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-methylphenyl)methyl]propanedioic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-methylphenyl)methyl]propanedioic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.