(2S,3S)-2-hydroxy-3-methylbutanedioic acid
TL;DR: (2S,3S)-2-hydroxy-3-methylbutanedioic acid (CAS 13398-41-9) is a chemical compound with molecular formula C5H8O5 and molecular weight 148.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-hydroxy-3-methylbutanedioic acid
Also Known As: L-threo-3-methylmalic acid, L-threo-3-Methylmalate, (2S,3S)-2-hydroxy-3-methylbutanedioic acid, (3S)-3-Methyl-L-malic acid, J1.436.825F
| Molecular Formula | C5H8O5 |
|---|---|
| Molecular Weight | 148.04 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.03717 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 13398-41-9 |
|---|---|
| SMILES | C[C@@H]([C@@H](C(=O)O)O)C(=O)O |
| InChIKey | NPYQJIHHTGFBLN-HRFVKAFMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S,3S)-2-hydroxy-3-methylbutanedioic acid (CAS 13398-41-9), with molecular formula C5H8O5 and molecular weight 148.04 g/mol. IUPAC: (2S,3S)-2-hydroxy-3-methylbutanedioic acid.
Chemical Property Profile of (2S,3S)-2-hydroxy-3-methylbutanedioic acid
Property Insights of (2S,3S)-2-hydroxy-3-methylbutanedioic acid
The XLogP value of -0.8 indicates that (2S,3S)-2-hydroxy-3-methylbutanedioic 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 (2S,3S)-2-hydroxy-3-methylbutanedioic acid. Following Lipinski's Rule of Five, (2S,3S)-2-hydroxy-3-methylbutanedioic 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 (2S,3S)-2-hydroxy-3-methylbutanedioic acid?
The CAS number of (2S,3S)-2-hydroxy-3-methylbutanedioic acid is 13398-41-9.
What is the molecular formula of (2S,3S)-2-hydroxy-3-methylbutanedioic acid?
The molecular formula of (2S,3S)-2-hydroxy-3-methylbutanedioic acid is C5H8O5.
What is the molecular weight of (2S,3S)-2-hydroxy-3-methylbutanedioic acid?
The molecular weight of (2S,3S)-2-hydroxy-3-methylbutanedioic acid is 148.04 g/mol.
Where can I buy (2S,3S)-2-hydroxy-3-methylbutanedioic acid?
You can request a quote for (2S,3S)-2-hydroxy-3-methylbutanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3S)-2-hydroxy-3-methylbutanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-2-hydroxy-3-methylbutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.