2-甲基乙酰乙酸甲酯
TL;DR: 2-甲基乙酰乙酸甲酯 (CAS 17094-21-2) 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.
2-甲基乙酰乙酸甲酯
methyl 2-methyl-3-oxobutanoate
Also Known As: Methyl 2-methyl-3-oxobutanoate, Methyl 2-methylacetoacetate, Methyl 2-methyl-3-oxobutyrate, methyl-2-methylacetoacetate, methyl2-methyl-3-oxobutanoate
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 17094-21-2 |
|---|---|
| SMILES | CC(C(=O)C)C(=O)OC |
| InChIKey | NDTWZHURUDSPQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基乙酰乙酸甲酯 (CAS 17094-21-2), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: methyl 2-methyl-3-oxobutanoate.
Chemical Property Profile of 2-甲基乙酰乙酸甲酯
Property Insights of 2-甲基乙酰乙酸甲酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基乙酰乙酸甲酯. With a topological polar surface area (TPSA) of 43.4 Ų, 2-甲基乙酰乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基乙酰乙酸甲酯 has 0 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 2-甲基乙酰乙酸甲酯?
The CAS number of 2-甲基乙酰乙酸甲酯 is 17094-21-2.
What is the molecular formula of 2-甲基乙酰乙酸甲酯?
The molecular formula of 2-甲基乙酰乙酸甲酯 is C6H10O3.
What is the molecular weight of 2-甲基乙酰乙酸甲酯?
The molecular weight of 2-甲基乙酰乙酸甲酯 is 130.06 g/mol.
Where can I buy 2-甲基乙酰乙酸甲酯?
You can request a quote for 2-甲基乙酰乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基乙酰乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基乙酰乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.