![2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid structure](/static/products/6828/682805-47-6.webp)
2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid
TL;DR: 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid (CAS 682805-47-6) is a chemical compound with molecular formula C13H14O7 and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic acid
Also Known As: 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid, 2-(3,4,5-Trimethoxybenzylidene)malonic acid, 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioicacid
| Molecular Formula | C13H14O7 |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 1.265 |
| Topological Polar Surface Area | 102.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.07394 |
| Heavy Atoms | 20 |
| Complexity | 518.83325 |
Chemical Identifiers
| CAS Number | 682805-47-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=C(C(=O)O)C(=O)O |
Product Overview
2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid (CAS 682805-47-6), with molecular formula C13H14O7 and molecular weight 282.07 g/mol. IUPAC: 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic acid.
Chemical Property Profile of 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid
Property Insights of 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid
The XLogP value of 1.265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid. The TPSA of 102.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid. Following Lipinski's Rule of Five, 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid has 2 hydrogen bond donor(s) and 5 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 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid?
The CAS number of 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid is 682805-47-6.
What is the molecular formula of 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid?
The molecular formula of 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid is C13H14O7.
What is the molecular weight of 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid?
The molecular weight of 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid is 282.07 g/mol.
Where can I buy 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid?
You can request a quote for 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedioic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.