β-甲基乙酰丙酸
TL;DR: β-甲基乙酰丙酸 (CAS 6628-79-1) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-甲基乙酰丙酸
3-methyl-4-oxopentanoic acid
Also Known As: beta-Methyllevulinic Acid, 3-Methyl-4-oxopentanoic acid, 3-Acetylbutyric Acid, A-Methyllevulinic acid, ?-Methyllevulinic acid
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 6628-79-1 |
|---|---|
| SMILES | CC(CC(=O)O)C(=O)C |
| InChIKey | NFIWUVRBASXMGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
β-甲基乙酰丙酸 (CAS 6628-79-1), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 3-methyl-4-oxopentanoic acid.
Chemical Property Profile of β-甲基乙酰丙酸
Property Insights of β-甲基乙酰丙酸
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for β-甲基乙酰丙酸. With a topological polar surface area (TPSA) of 54.4 Ų, β-甲基乙酰丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-甲基乙酰丙酸 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 β-甲基乙酰丙酸?
The CAS number of β-甲基乙酰丙酸 is 6628-79-1.
What is the molecular formula of β-甲基乙酰丙酸?
The molecular formula of β-甲基乙酰丙酸 is C6H10O3.
What is the molecular weight of β-甲基乙酰丙酸?
The molecular weight of β-甲基乙酰丙酸 is 130.06 g/mol.
Where can I buy β-甲基乙酰丙酸?
You can request a quote for β-甲基乙酰丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-甲基乙酰丙酸?
Yes, KEHONG BIO provides custom synthesis services for β-甲基乙酰丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.