乙酰丙酸
TL;DR: 乙酰丙酸 (CAS 123-76-2) 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.
乙酰丙酸
4-oxopentanoic acid
Also Known As: LEVULINIC ACID, 4-Oxopentanoic acid, Laevulinic acid, Levulic acid, 4-Oxovaleric acid
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
| Melting Point | 33 |
| Boiling Point | 245.5 |
| Density | 1.136-1.147 (20°) |
| Solubility | soluble in water, alcohol, and oil |
| Refractive Index | 1.439-1.445 |
| GHS Signal | Danger |
| H-Statements | H302, H317, H318 |
Chemical Identifiers
| CAS Number | 123-76-2 |
|---|---|
| SMILES | CC(=O)CCC(=O)O |
| InChIKey | JOOXCMJARBKPKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰丙酸 (CAS 123-76-2), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: 4-oxopentanoic acid.
Chemical Property Profile of 乙酰丙酸
Property Insights of 乙酰丙酸
The XLogP value of -0.5 indicates that 乙酰丙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, 乙酰丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰丙酸 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 乙酰丙酸?
The CAS number of 乙酰丙酸 is 123-76-2.
What is the molecular formula of 乙酰丙酸?
The molecular formula of 乙酰丙酸 is C5H8O3.
What is the molecular weight of 乙酰丙酸?
The molecular weight of 乙酰丙酸 is 116.05 g/mol.
Where can I buy 乙酰丙酸?
You can request a quote for 乙酰丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰丙酸?
Yes, KEHONG BIO provides custom synthesis services for 乙酰丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.