Α-丁酮酸
TL;DR: Α-丁酮酸 (CAS 600-18-0) is a chemical compound with molecular formula C4H6O3 and molecular weight 102.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-丁酮酸
2-oxobutanoic acid
Also Known As: 2-oxobutanoic acid, 2-ketobutyric acid, 2-oxobutyric acid, alpha-ketobutyric acid, Ketobutyrate
| Molecular Formula | C4H6O3 |
|---|---|
| Molecular Weight | 102.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.03169 |
| Heavy Atoms | 7 |
| Complexity | 95.0 |
| Melting Point | 33 |
| Density | 1.200 (d20/4) |
| Solubility | 119 mg/mL |
Chemical Identifiers
| CAS Number | 600-18-0 |
|---|---|
| SMILES | CCC(=O)C(=O)O |
| InChIKey | TYEYBOSBBBHJIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α-丁酮酸 (CAS 600-18-0), with molecular formula C4H6O3 and molecular weight 102.03 g/mol. IUPAC: 2-oxobutanoic acid.
Chemical Property Profile of Α-丁酮酸
Property Insights of Α-丁酮酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α-丁酮酸. With a topological polar surface area (TPSA) of 54.4 Ų, Α-丁酮酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Α-丁酮酸 has 1 hydrogen bond donor(s) and 3 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 Α-丁酮酸?
The CAS number of Α-丁酮酸 is 600-18-0.
What is the molecular formula of Α-丁酮酸?
The molecular formula of Α-丁酮酸 is C4H6O3.
What is the molecular weight of Α-丁酮酸?
The molecular weight of Α-丁酮酸 is 102.03 g/mol.
Where can I buy Α-丁酮酸?
You can request a quote for Α-丁酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α-丁酮酸?
Yes, KEHONG BIO provides custom synthesis services for Α-丁酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.