(±)-柠檬苹果酸
TL;DR: (±)-柠檬苹果酸 (CAS 597-44-4) 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.
(±)-柠檬苹果酸
2-hydroxy-2-methylbutanedioic acid
Also Known As: Citramalic acid, citramalate, 2-Methylmalic acid, DL-Citramalic acid, 2-hydroxy-2-methylbutanedioic acid
| Molecular Formula | C5H8O5 |
|---|---|
| Molecular Weight | 148.04 g/mol |
| LogP | -0.9 |
| 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 | 163.0 |
| Melting Point | 107 - 111 °C |
Chemical Identifiers
| CAS Number | 597-44-4 |
|---|---|
| SMILES | CC(CC(=O)O)(C(=O)O)O |
| InChIKey | XFTRTWQBIOMVPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(±)-柠檬苹果酸 (CAS 597-44-4), with molecular formula C5H8O5 and molecular weight 148.04 g/mol. IUPAC: 2-hydroxy-2-methylbutanedioic acid.
Chemical Property Profile of (±)-柠檬苹果酸
Property Insights of (±)-柠檬苹果酸
The XLogP value of -0.9 indicates that (±)-柠檬苹果酸 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 (±)-柠檬苹果酸. Following Lipinski's Rule of Five, (±)-柠檬苹果酸 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 (±)-柠檬苹果酸?
The CAS number of (±)-柠檬苹果酸 is 597-44-4.
What is the molecular formula of (±)-柠檬苹果酸?
The molecular formula of (±)-柠檬苹果酸 is C5H8O5.
What is the molecular weight of (±)-柠檬苹果酸?
The molecular weight of (±)-柠檬苹果酸 is 148.04 g/mol.
Where can I buy (±)-柠檬苹果酸?
You can request a quote for (±)-柠檬苹果酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (±)-柠檬苹果酸?
Yes, KEHONG BIO provides custom synthesis services for (±)-柠檬苹果酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.