2-乙酰基-3-甲基丁酸乙酯
TL;DR: 2-乙酰基-3-甲基丁酸乙酯 (CAS 1522-46-9) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰基-3-甲基丁酸乙酯
ethyl 2-acetyl-3-methylbutanoate
Also Known As: Ethyl 2-acetyl-3-methylbutanoate, Ethyl 2-isopropylacetoacetate, Ethyl 2-iso-propylacetoacetate, 2-Isopropylacetoacetic acid ethyl ester, Ethyl alpha-isopropylacetoacetate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 1522-46-9 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)C(=O)C |
| InChIKey | DMIFFKCVURTPTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙酰基-3-甲基丁酸乙酯 (CAS 1522-46-9), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: ethyl 2-acetyl-3-methylbutanoate.
Chemical Property Profile of 2-乙酰基-3-甲基丁酸乙酯
Property Insights of 2-乙酰基-3-甲基丁酸乙酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰基-3-甲基丁酸乙酯. With a topological polar surface area (TPSA) of 43.4 Ų, 2-乙酰基-3-甲基丁酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙酰基-3-甲基丁酸乙酯 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-乙酰基-3-甲基丁酸乙酯?
The CAS number of 2-乙酰基-3-甲基丁酸乙酯 is 1522-46-9.
What is the molecular formula of 2-乙酰基-3-甲基丁酸乙酯?
The molecular formula of 2-乙酰基-3-甲基丁酸乙酯 is C9H16O3.
What is the molecular weight of 2-乙酰基-3-甲基丁酸乙酯?
The molecular weight of 2-乙酰基-3-甲基丁酸乙酯 is 172.11 g/mol.
Where can I buy 2-乙酰基-3-甲基丁酸乙酯?
You can request a quote for 2-乙酰基-3-甲基丁酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰基-3-甲基丁酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰基-3-甲基丁酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.