(2R,3S)-2-methylcitric acid
TL;DR: (2R,3S)-2-methylcitric acid (CAS 64815-79-8) is a chemical compound with molecular formula C7H10O7 and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid
Also Known As: 2-methylcitrate, (2R,3S)-2-methylcitric acid, 2-Methylcitric acid, (2R,3S)-Methylcitrate, Methylcitrate, (2R,3S)-
| Molecular Formula | C7H10O7 |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.04265 |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 64815-79-8 |
|---|---|
| SMILES | C[C@H](C(=O)O)[C@](CC(=O)O)(C(=O)O)O |
| InChIKey | YNOXCRMFGMSKIJ-WVBDSBKLSA-N |
Product Overview
(2R,3S)-2-methylcitric acid (CAS 64815-79-8), with molecular formula C7H10O7 and molecular weight 206.04 g/mol. IUPAC: (2R,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid.
Chemical Property Profile of (2R,3S)-2-methylcitric acid
Property Insights of (2R,3S)-2-methylcitric acid
The XLogP value of -1.4 indicates that (2R,3S)-2-methylcitric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S)-2-methylcitric acid. Following Lipinski's Rule of Five, (2R,3S)-2-methylcitric acid has 4 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 (2R,3S)-2-methylcitric acid?
The CAS number of (2R,3S)-2-methylcitric acid is 64815-79-8.
What is the molecular formula of (2R,3S)-2-methylcitric acid?
The molecular formula of (2R,3S)-2-methylcitric acid is C7H10O7.
What is the molecular weight of (2R,3S)-2-methylcitric acid?
The molecular weight of (2R,3S)-2-methylcitric acid is 206.04 g/mol.
Where can I buy (2R,3S)-2-methylcitric acid?
You can request a quote for (2R,3S)-2-methylcitric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S)-2-methylcitric acid?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S)-2-methylcitric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.