Β-酮戊酸
TL;DR: Β-酮戊酸 (CAS 10191-25-0) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Β-酮戊酸
2-methyl-3-oxobutanoic acid
Also Known As: 2-Methylacetoacetic acid, 2-methyl-3-oxobutanoic acid, alpha-Methylacetoacetate, 2-Acetylpropanoic acid, 2-Methyl-3-oxo-butyric acid
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 10191-25-0 |
|---|---|
| SMILES | CC(C(=O)C)C(=O)O |
| InChIKey | GCXJINGJZAOJHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Β-酮戊酸 (CAS 10191-25-0), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: 2-methyl-3-oxobutanoic acid.
Chemical Property Profile of Β-酮戊酸
Property Insights of Β-酮戊酸
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Β-酮戊酸. With a topological polar surface area (TPSA) of 54.4 Ų, Β-酮戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Β-酮戊酸 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 Β-酮戊酸?
The CAS number of Β-酮戊酸 is 10191-25-0.
What is the molecular formula of Β-酮戊酸?
The molecular formula of Β-酮戊酸 is C5H8O3.
What is the molecular weight of Β-酮戊酸?
The molecular weight of Β-酮戊酸 is 116.05 g/mol.
Where can I buy Β-酮戊酸?
You can request a quote for Β-酮戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Β-酮戊酸?
Yes, KEHONG BIO provides custom synthesis services for Β-酮戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.