Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate
TL;DR: Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate (CAS 70311-74-9) is a chemical compound with molecular formula C14H16O7 and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate
Also Known As: Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate, 2,4-Dioxo-4-(3,4,5-trimethoxy-phenyl)-butyric acid methyl ester, 2,4-DIOXO-4- -BUTYRICACIDMETHYLESTER, 2,4-Dioxo-4-(3,4,5-trimethoxy-phenyl)butyric acid methyl ester, 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butyric acid methyl ester
| Molecular Formula | C14H16O7 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 1.0273 |
| Topological Polar Surface Area | 88.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.0896 |
| Heavy Atoms | 21 |
| Complexity | 537.4361 |
Chemical Identifiers
| CAS Number | 70311-74-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)C(=O)OC |
Product Overview
Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate (CAS 70311-74-9), with molecular formula C14H16O7 and molecular weight 296.09 g/mol. IUPAC: methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate.
Chemical Property Profile of Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate
Property Insights of Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate
The XLogP value of 1.0273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate. The TPSA of 88.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate. Following Lipinski's Rule of Five, Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate has 0 hydrogen bond donor(s) and 7 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 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate?
The CAS number of Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate is 70311-74-9.
What is the molecular formula of Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate?
The molecular formula of Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate is C14H16O7.
What is the molecular weight of Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate?
The molecular weight of Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate is 296.09 g/mol.
Where can I buy Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate?
You can request a quote for Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.