Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate
TL;DR: Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate (CAS 890591-35-2) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate
Also Known As: methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate, Methyl 4-(3,4-dimethylphenyl)-2,4-dioxo-butanoate
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.61834 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 474.30786 |
Chemical Identifiers
| CAS Number | 890591-35-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)CC(=O)C(=O)OC)C |
Product Overview
Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate (CAS 890591-35-2), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate.
Chemical Property Profile of Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate
Property Insights of Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate
The XLogP value of 1.61834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate. Following Lipinski's Rule of Five, Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate has 0 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 Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate?
The CAS number of Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate is 890591-35-2.
What is the molecular formula of Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate?
The molecular formula of Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate is C13H14O4.
What is the molecular weight of Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate?
The molecular weight of Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate is 234.09 g/mol.
Where can I buy Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate?
You can request a quote for Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3,4-dimethylphenyl)-2,4-dioxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.