2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid
TL;DR: 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid (CAS 331964-67-1) is a chemical compound with molecular formula C12H14O6 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxyphenyl)methyl]propanedioic acid
Also Known As: ChemDiv2_000795, LDHA Inhibitor, 21, (3,4-dimethoxybenzyl)malonic acid, 2-(3,4-Dimethoxybenzyl)Malonic Acid, (3,4-dimethoxybenzyl)propanedioic acid
| Molecular Formula | C12H14O6 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.07904 |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 331964-67-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(C(=O)O)C(=O)O)OC |
| InChIKey | NQKOQSKMBSAXTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid (CAS 331964-67-1), with molecular formula C12H14O6 and molecular weight 254.08 g/mol. IUPAC: 2-[(3,4-dimethoxyphenyl)methyl]propanedioic acid.
Chemical Property Profile of 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid
Property Insights of 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid. Following Lipinski's Rule of Five, 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid has 2 hydrogen bond donor(s) and 6 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-Dimethoxyphenyl)methyl))propanedioic Acid?
The CAS number of 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid is 331964-67-1.
What is the molecular formula of 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid?
The molecular formula of 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid is C12H14O6.
What is the molecular weight of 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid?
The molecular weight of 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid is 254.08 g/mol.
Where can I buy 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid?
You can request a quote for 2-((3,4-Dimethoxyphenyl)methyl))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-Dimethoxyphenyl)methyl))propanedioic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.