硬脂酸正丁酯
TL;DR: 硬脂酸正丁酯 (CAS 123-95-5) is a chemical compound with molecular formula C22H44O2 and molecular weight 340.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硬脂酸正丁酯
butyl octadecanoate
Also Known As: BUTYL STEARATE, N-Butyl stearate, Butyl octadecanoate, Kesscoflex BS, Octadecanoic acid, butyl ester
| Molecular Formula | C22H44O2 |
|---|---|
| Molecular Weight | 340.33 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 340.33414 |
| Heavy Atoms | 24 |
| Complexity | 250.0 |
| Melting Point | 27 °C |
| Boiling Point | 343 °C |
| Density | 0.854 @ 25 °C |
| Solubility | Insoluble in water; soluble in ethanol; very soluble in acetone |
| Flash Point | 160.0 °C (160 °C) (CLOSED CUP) |
| Vapor Pressure | 0.0000058 [mmHg] |
| Refractive Index | 1.4328 @ 50 °C |
Chemical Identifiers
| CAS Number | 123-95-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCC |
| InChIKey | ULBTUVJTXULMLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硬脂酸正丁酯 (CAS 123-95-5), with molecular formula C22H44O2 and molecular weight 340.33 g/mol. IUPAC: butyl octadecanoate.
Chemical Property Profile of 硬脂酸正丁酯
Property Insights of 硬脂酸正丁酯
The XLogP value of 9.8 indicates that 硬脂酸正丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 硬脂酸正丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硬脂酸正丁酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硬脂酸正丁酯?
The CAS number of 硬脂酸正丁酯 is 123-95-5.
What is the molecular formula of 硬脂酸正丁酯?
The molecular formula of 硬脂酸正丁酯 is C22H44O2.
What is the molecular weight of 硬脂酸正丁酯?
The molecular weight of 硬脂酸正丁酯 is 340.33 g/mol.
Where can I buy 硬脂酸正丁酯?
You can request a quote for 硬脂酸正丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硬脂酸正丁酯?
Yes, KEHONG BIO provides custom synthesis services for 硬脂酸正丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.