3-草酰苹果酸
TL;DR: 3-草酰苹果酸 (CAS 89304-26-7) is a chemical compound with molecular formula C6H6O8 and molecular weight 206.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-草酰苹果酸
1-hydroxy-3-oxopropane-1,2,3-tricarboxylic acid
Also Known As: 3-Oxalomalic acid, Oxalomalic acid, oxalomalate, oxalomalicacid, 3-Oxalomalate
| Molecular Formula | C6H6O8 |
|---|---|
| Molecular Weight | 206.01 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.00627 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 89304-26-7 |
|---|---|
| SMILES | C(C(C(=O)O)O)(C(=O)C(=O)O)C(=O)O |
| InChIKey | YILAUJBAPQXZGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-草酰苹果酸 (CAS 89304-26-7), with molecular formula C6H6O8 and molecular weight 206.01 g/mol. IUPAC: 1-hydroxy-3-oxopropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 3-草酰苹果酸
Property Insights of 3-草酰苹果酸
The XLogP value of -1.7 indicates that 3-草酰苹果酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 3-草酰苹果酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-草酰苹果酸 has 4 hydrogen bond donor(s) and 8 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 3-草酰苹果酸?
The CAS number of 3-草酰苹果酸 is 89304-26-7.
What is the molecular formula of 3-草酰苹果酸?
The molecular formula of 3-草酰苹果酸 is C6H6O8.
What is the molecular weight of 3-草酰苹果酸?
The molecular weight of 3-草酰苹果酸 is 206.01 g/mol.
Where can I buy 3-草酰苹果酸?
You can request a quote for 3-草酰苹果酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-草酰苹果酸?
Yes, KEHONG BIO provides custom synthesis services for 3-草酰苹果酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.