2-甲基丙酸3-羟基壬酯
TL;DR: 2-甲基丙酸3-羟基壬酯 (CAS 68227-52-1) is a chemical compound with molecular formula C13H26O3 and molecular weight 230.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丙酸3-羟基壬酯
3-hydroxynonyl 2-methylpropanoate
Also Known As: 3-Hydroxynonyl isobutyrate, 1,3-Nonanediol, 1-isobutyrate, 3-hydroxynonylisobutyrate, 3-hydroxynonyl 2-methylpropanoate, Propanoic acid, 2-methyl-, 3-hydroxynonyl ester
| Molecular Formula | C13H26O3 |
|---|---|
| Molecular Weight | 230.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 230.1882 |
| Heavy Atoms | 16 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 68227-52-1 |
|---|---|
| SMILES | CCCCCCC(CCOC(=O)C(C)C)O |
| InChIKey | BKLLEFBQDROZNE-UHFFFAOYSA-N |
Product Overview
2-甲基丙酸3-羟基壬酯 (CAS 68227-52-1), with molecular formula C13H26O3 and molecular weight 230.19 g/mol. IUPAC: 3-hydroxynonyl 2-methylpropanoate.
Chemical Property Profile of 2-甲基丙酸3-羟基壬酯
Property Insights of 2-甲基丙酸3-羟基壬酯
The XLogP value of 3.8 indicates that 2-甲基丙酸3-羟基壬酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-甲基丙酸3-羟基壬酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丙酸3-羟基壬酯 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3-羟基壬酯?
The CAS number of 2-甲基丙酸3-羟基壬酯 is 68227-52-1.
What is the molecular formula of 2-甲基丙酸3-羟基壬酯?
The molecular formula of 2-甲基丙酸3-羟基壬酯 is C13H26O3.
What is the molecular weight of 2-甲基丙酸3-羟基壬酯?
The molecular weight of 2-甲基丙酸3-羟基壬酯 is 230.19 g/mol.
Where can I buy 2-甲基丙酸3-羟基壬酯?
You can request a quote for 2-甲基丙酸3-羟基壬酯 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3-羟基壬酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丙酸3-羟基壬酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.