2-亚甲基丁酸2-甲基丙酯
TL;DR: 2-亚甲基丁酸2-甲基丙酯 (CAS 67634-19-9) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-亚甲基丁酸2-甲基丙酯
2-methylpropyl 2-methylidenebutanoate
Also Known As: Isobutyl 2-ethylacrylate, 2-methylpropyl 2-methylidenebutanoate, Butanoic acid, 2-methylene-, 2-methylpropyl ester, 2-Methylpropyl 2-methylenebutanoate, Butyric acid, 2-methylene-, isobutyl ester
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 67634-19-9 |
|---|---|
| SMILES | CCC(=C)C(=O)OCC(C)C |
| InChIKey | XIADDNKBYXBWMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-亚甲基丁酸2-甲基丙酯 (CAS 67634-19-9), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 2-methylpropyl 2-methylidenebutanoate.
Chemical Property Profile of 2-亚甲基丁酸2-甲基丙酯
Property Insights of 2-亚甲基丁酸2-甲基丙酯
The XLogP value of 3.1 indicates that 2-亚甲基丁酸2-甲基丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-亚甲基丁酸2-甲基丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-亚甲基丁酸2-甲基丙酯 has 0 hydrogen bond donor(s) and 2 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-亚甲基丁酸2-甲基丙酯?
The CAS number of 2-亚甲基丁酸2-甲基丙酯 is 67634-19-9.
What is the molecular formula of 2-亚甲基丁酸2-甲基丙酯?
The molecular formula of 2-亚甲基丁酸2-甲基丙酯 is C9H16O2.
What is the molecular weight of 2-亚甲基丁酸2-甲基丙酯?
The molecular weight of 2-亚甲基丁酸2-甲基丙酯 is 156.12 g/mol.
Where can I buy 2-亚甲基丁酸2-甲基丙酯?
You can request a quote for 2-亚甲基丁酸2-甲基丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-亚甲基丁酸2-甲基丙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-亚甲基丁酸2-甲基丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.