草酰乙酸
TL;DR: 草酰乙酸 (CAS 328-42-7) is a chemical compound with molecular formula C4H4O5 and molecular weight 132.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草酰乙酸
2-oxobutanedioic acid
Also Known As: oxalacetic acid, oxaloacetic acid, 2-Oxosuccinic acid, 2-Oxobutanedioic acid, oxaloacetate
| Molecular Formula | C4H4O5 |
|---|---|
| Molecular Weight | 132.01 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.00587 |
| Heavy Atoms | 9 |
| Complexity | 158.0 |
| Melting Point | 161 °C |
| Solubility | 134 mg/mL |
Chemical Identifiers
| CAS Number | 328-42-7 |
|---|---|
| SMILES | C(C(=O)C(=O)O)C(=O)O |
| InChIKey | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草酰乙酸 (CAS 328-42-7), with molecular formula C4H4O5 and molecular weight 132.01 g/mol. IUPAC: 2-oxobutanedioic acid.
Chemical Property Profile of 草酰乙酸
Property Insights of 草酰乙酸
The XLogP value of -0.6 indicates that 草酰乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 草酰乙酸. Following Lipinski's Rule of Five, 草酰乙酸 has 2 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 草酰乙酸?
The CAS number of 草酰乙酸 is 328-42-7.
What is the molecular formula of 草酰乙酸?
The molecular formula of 草酰乙酸 is C4H4O5.
What is the molecular weight of 草酰乙酸?
The molecular weight of 草酰乙酸 is 132.01 g/mol.
Where can I buy 草酰乙酸?
You can request a quote for 草酰乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草酰乙酸?
Yes, KEHONG BIO provides custom synthesis services for 草酰乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.