2-甲基丙酸2-羟基庚酯
TL;DR: 2-甲基丙酸2-羟基庚酯 (CAS 67845-55-0) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丙酸2-羟基庚酯
2-hydroxyheptyl 2-methylpropanoate
Also Known As: 2-Hydroxyheptyl isobutyrate, 2-hydroxyheptyl 2-methylpropanoate, 2-hydroxyheptylisobutyrate, Propanoic acid, 2-methyl-, 2-hydroxyheptyl ester, Isopropyl dilauryl myristyl titanate
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 67845-55-0 |
|---|---|
| SMILES | CCCCCC(COC(=O)C(C)C)O |
| InChIKey | AQENJUWUMIOQRA-UHFFFAOYSA-N |
Product Overview
2-甲基丙酸2-羟基庚酯 (CAS 67845-55-0), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: 2-hydroxyheptyl 2-methylpropanoate.
Chemical Property Profile of 2-甲基丙酸2-羟基庚酯
Property Insights of 2-甲基丙酸2-羟基庚酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基丙酸2-羟基庚酯. With a topological polar surface area (TPSA) of 46.5 Ų, 2-甲基丙酸2-羟基庚酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丙酸2-羟基庚酯 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 2-甲基丙酸2-羟基庚酯?
The CAS number of 2-甲基丙酸2-羟基庚酯 is 67845-55-0.
What is the molecular formula of 2-甲基丙酸2-羟基庚酯?
The molecular formula of 2-甲基丙酸2-羟基庚酯 is C11H22O3.
What is the molecular weight of 2-甲基丙酸2-羟基庚酯?
The molecular weight of 2-甲基丙酸2-羟基庚酯 is 202.16 g/mol.
Where can I buy 2-甲基丙酸2-羟基庚酯?
You can request a quote for 2-甲基丙酸2-羟基庚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丙酸2-羟基庚酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丙酸2-羟基庚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.