2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid
TL;DR: 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid (CAS 116212-44-3) is a chemical compound with molecular formula C13H14O9 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid
Also Known As: 2-(2,6-dimethoxybenzoyl)oxy-3-hydroxy-butanedioic Acid
| Molecular Formula | C13H14O9 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | -0.2407 |
| Topological Polar Surface Area | 139.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.06378 |
| Heavy Atoms | 22 |
| Complexity | 558.62354 |
Chemical Identifiers
| CAS Number | 116212-44-3 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)C(=O)OC(C(C(=O)O)O)C(=O)O |
Product Overview
2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid (CAS 116212-44-3), with molecular formula C13H14O9 and molecular weight 314.06 g/mol. IUPAC: 2-(2,6-dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid.
Chemical Property Profile of 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid
Property Insights of 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid
The XLogP value of -0.2407 indicates that 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid. Following Lipinski's Rule of Five, 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid has 3 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 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid?
The CAS number of 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid is 116212-44-3.
What is the molecular formula of 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid?
The molecular formula of 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid is C13H14O9.
What is the molecular weight of 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid?
The molecular weight of 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid is 314.06 g/mol.
Where can I buy 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid?
You can request a quote for 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-Dimethoxybenzoyl)oxy-3-hydroxybutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.