4-羟基-2-氧代戊二酸
TL;DR: 4-羟基-2-氧代戊二酸 (CAS 1187-99-1) is a chemical compound with molecular formula C5H6O6 and molecular weight 162.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-2-氧代戊二酸
2-hydroxy-4-oxopentanedioic acid
Also Known As: 2-Hydroxy-4-oxopentanedioic acid, 4-Hydroxy-2-oxoglutaric acid, 2-keto-4-hydroxyglutarate, 4-hydroxy-2-oxoglutarate, 2-Oxo-4-hydroxyglutarate
| Molecular Formula | C5H6O6 |
|---|---|
| Molecular Weight | 162.02 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.01643 |
| Heavy Atoms | 11 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 1187-99-1 |
|---|---|
| SMILES | C(C(C(=O)O)O)C(=O)C(=O)O |
| InChIKey | WXSKVKPSMAHCSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-2-氧代戊二酸 (CAS 1187-99-1), with molecular formula C5H6O6 and molecular weight 162.02 g/mol. IUPAC: 2-hydroxy-4-oxopentanedioic acid.
Chemical Property Profile of 4-羟基-2-氧代戊二酸
Property Insights of 4-羟基-2-氧代戊二酸
The XLogP value of -1.4 indicates that 4-羟基-2-氧代戊二酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羟基-2-氧代戊二酸. Following Lipinski's Rule of Five, 4-羟基-2-氧代戊二酸 has 3 hydrogen bond donor(s) and 6 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 4-羟基-2-氧代戊二酸?
The CAS number of 4-羟基-2-氧代戊二酸 is 1187-99-1.
What is the molecular formula of 4-羟基-2-氧代戊二酸?
The molecular formula of 4-羟基-2-氧代戊二酸 is C5H6O6.
What is the molecular weight of 4-羟基-2-氧代戊二酸?
The molecular weight of 4-羟基-2-氧代戊二酸 is 162.02 g/mol.
Where can I buy 4-羟基-2-氧代戊二酸?
You can request a quote for 4-羟基-2-氧代戊二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-2-氧代戊二酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-2-氧代戊二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.