![Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate structure](/static/products/6851/685108-46-7.webp)
Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate
TL;DR: Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate (CAS 685108-46-7) is a chemical compound with molecular formula C24H28O8 and molecular weight 444.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]propanedioate
Also Known As: dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate, Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]propanedioate, 1,3-dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]propanedioate, 1,3-dimethyl2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]propanedioate, Dimethyl 2-[3-(4-Methylphenyl)-3-oxo-1-(3,4,5-trimeythoxyphenyl)propyl]malonate
| Molecular Formula | C24H28O8 |
|---|---|
| Molecular Weight | 444.18 g/mol |
| LogP | 3.33962 |
| Topological Polar Surface Area | 97.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 444.1784 |
| Heavy Atoms | 32 |
| Complexity | 923.45966 |
Chemical Identifiers
| CAS Number | 685108-46-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(C2=CC(=C(C(=C2)OC)OC)OC)C(C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate (CAS 685108-46-7), with molecular formula C24H28O8 and molecular weight 444.18 g/mol. IUPAC: dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]propanedioate.
Chemical Property Profile of Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate
Property Insights of Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate
The XLogP value of 3.33962 indicates that Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate. Following Lipinski's Rule of Five, Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate has 0 hydrogen bond donor(s) and 8 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 Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate?
The CAS number of Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate is 685108-46-7.
What is the molecular formula of Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate?
The molecular formula of Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate is C24H28O8.
What is the molecular weight of Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate?
The molecular weight of Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate is 444.18 g/mol.
Where can I buy Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate?
You can request a quote for Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.