4-Methyl-alpha,gamma-dioxobenzenebutanoic acid
TL;DR: 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid (CAS 55558-81-1) 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.
4-(4-methylphenyl)-2,4-dioxobutanoic acid
Also Known As: 4-(4-methylphenyl)-2,4-dioxobutanoic acid, 2,4-dioxo-4-p-tolylbutanoic acid, 2,4-Dioxo-4-p-tolyl-butyric acid, 2,4-dioxo-4-(p-tolyl)butanoic acid, Benzenebutanoic acid, 4-methyl-a,g-dioxo-
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 55558-81-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(=O)C(=O)O |
| InChIKey | HTYHIFXQHMFHEB-UHFFFAOYSA-N |
Product Overview
4-Methyl-alpha,gamma-dioxobenzenebutanoic acid (CAS 55558-81-1), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 4-(4-methylphenyl)-2,4-dioxobutanoic acid.
Chemical Property Profile of 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid
Property Insights of 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid. Following Lipinski's Rule of Five, 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid has 1 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 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid?
The CAS number of 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid is 55558-81-1.
What is the molecular formula of 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid?
The molecular formula of 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid is C11H10O4.
What is the molecular weight of 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid?
The molecular weight of 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid is 206.06 g/mol.
Where can I buy 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid?
You can request a quote for 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-alpha,gamma-dioxobenzenebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.