(2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid
TL;DR: (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid (CAS 921-28-8) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-hydroxy-3-propan-2-ylbutanedioic acid
Also Known As: beta-isopropylmalate, 3-isopropylmalate, 2-isopropylmalate, 3-isopropylmalic acid, Malic acid, 3-isopropyl-, threo-
| Molecular Formula | C7H12O5 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | -0.2113 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.06847 |
| Heavy Atoms | 12 |
| Complexity | 186.23576 |
Chemical Identifiers
| CAS Number | 921-28-8 |
|---|---|
| SMILES | CC(C)[C@@H]([C@@H](C(=O)O)O)C(=O)O |
Product Overview
(2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid (CAS 921-28-8), with molecular formula C7H12O5 and molecular weight 176.07 g/mol. IUPAC: (2S,3S)-2-hydroxy-3-propan-2-ylbutanedioic acid.
Chemical Property Profile of (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid
Property Insights of (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid
The XLogP value of -0.2113 indicates that (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid. Following Lipinski's Rule of Five, (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid has 3 hydrogen bond donor(s) and 3 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-(1-methylethyl)butanedioic acid?
The CAS number of (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid is 921-28-8.
What is the molecular formula of (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid?
The molecular formula of (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid is C7H12O5.
What is the molecular weight of (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid?
The molecular weight of (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid is 176.07 g/mol.
Where can I buy (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid?
You can request a quote for (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic 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-(1-methylethyl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.