Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate
TL;DR: Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate (CAS 676348-53-1) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate
Also Known As: methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate, Methyl 2-(3,4-dimethylbenzoyl)-3-oxo-butanoate, 2-(3,4-Dimethylbenzoyl)-3-oxo-butyric acid methylester, 2-(3,4-DIMETHYL-BENZOYL)-3-OXO-BUTYRIC ACID METHYL ESTER
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 1.86434 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 502.5155 |
Chemical Identifiers
| CAS Number | 676348-53-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)C(C(=O)C)C(=O)OC)C |
Product Overview
Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate (CAS 676348-53-1), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate.
Chemical Property Profile of Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate
Property Insights of Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate
The XLogP value of 1.86434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate. Following Lipinski's Rule of Five, Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate 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 2-(3,4-dimethylbenzoyl)-3-oxobutanoate?
The CAS number of Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate is 676348-53-1.
What is the molecular formula of Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate?
The molecular formula of Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate is C14H16O4.
What is the molecular weight of Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate?
The molecular weight of Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate is 248.10 g/mol.
Where can I buy Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate?
You can request a quote for Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.