辛酸丁酯
TL;DR: 辛酸丁酯 (CAS 589-75-3) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛酸丁酯
butyl octanoate
Also Known As: Butyl caprylate, BUTYL OCTANOATE, Butyl n-Octanoate, n-Butylcaprylate, n-Butyl octanoate
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 589-75-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCCC |
| InChIKey | PSXNDMJWRZYVTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
辛酸丁酯 (CAS 589-75-3), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: butyl octanoate.
Chemical Property Profile of 辛酸丁酯
Property Insights of 辛酸丁酯
The XLogP value of 4.4 indicates that 辛酸丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 辛酸丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 辛酸丁酯 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 辛酸丁酯?
The CAS number of 辛酸丁酯 is 589-75-3.
What is the molecular formula of 辛酸丁酯?
The molecular formula of 辛酸丁酯 is C12H24O2.
What is the molecular weight of 辛酸丁酯?
The molecular weight of 辛酸丁酯 is 200.18 g/mol.
Where can I buy 辛酸丁酯?
You can request a quote for 辛酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for 辛酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.