Isomalic acid
TL;DR: Isomalic acid (CAS 595-98-2) is a chemical compound with molecular formula CC(C(=O)O)(C(=O)O)O and molecular weight 134.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-methylpropanedioic acid
Also Known As: Methyltartronic acid, Isomalic acid, DL-Methyltartronic acid, 2-Hydroxy-2-methylpropanedioic acid, Isoapfelsaure
| Molecular Formula | CC(C(=O)O)(C(=O)O)O |
|---|---|
| Molecular Weight | 134.02 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.02153 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 595-98-2 |
|---|---|
| SMILES | CC(C(=O)O)(C(=O)O)O |
| InChIKey | LNRVTEQEGXVMEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isomalic acid (CAS 595-98-2), with molecular formula CC(C(=O)O)(C(=O)O)O and molecular weight 134.02 g/mol. IUPAC: 2-hydroxy-2-methylpropanedioic acid.
Chemical Property Profile of Isomalic acid
Property Insights of Isomalic acid
The XLogP value of -1.0 indicates that Isomalic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomalic acid. Following Lipinski's Rule of Five, Isomalic acid has 3 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 Isomalic acid?
The CAS number of Isomalic acid is 595-98-2.
What is the molecular formula of Isomalic acid?
The molecular formula of Isomalic acid is CC(C(=O)O)(C(=O)O)O.
What is the molecular weight of Isomalic acid?
The molecular weight of Isomalic acid is 134.02 g/mol.
Where can I buy Isomalic acid?
You can request a quote for Isomalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomalic acid?
Yes, KEHONG BIO provides custom synthesis services for Isomalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.