丙酸1-甲基庚酯
TL;DR: 丙酸1-甲基庚酯 (CAS 84782-03-6) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酸1-甲基庚酯
octan-2-yl propanoate
Also Known As: octan-2-yl propanoate, 1-Methylheptyl propionate, 1-methyl heptyl propionate, 1-Methylheptyl propionate #, Methyl-n-hexyl-carbinol-propionat
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 84782-03-6 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)CC |
| InChIKey | AJJGEXYNDGEAQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酸1-甲基庚酯 (CAS 84782-03-6), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: octan-2-yl propanoate.
Chemical Property Profile of 丙酸1-甲基庚酯
Property Insights of 丙酸1-甲基庚酯
The XLogP value of 3.9 indicates that 丙酸1-甲基庚酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 丙酸1-甲基庚酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酸1-甲基庚酯 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 丙酸1-甲基庚酯?
The CAS number of 丙酸1-甲基庚酯 is 84782-03-6.
What is the molecular formula of 丙酸1-甲基庚酯?
The molecular formula of 丙酸1-甲基庚酯 is C11H22O2.
What is the molecular weight of 丙酸1-甲基庚酯?
The molecular weight of 丙酸1-甲基庚酯 is 186.16 g/mol.
Where can I buy 丙酸1-甲基庚酯?
You can request a quote for 丙酸1-甲基庚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酸1-甲基庚酯?
Yes, KEHONG BIO provides custom synthesis services for 丙酸1-甲基庚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.