3-氧代丁酸十八烷基酯
TL;DR: 3-氧代丁酸十八烷基酯 (CAS 19150-71-1) is a chemical compound with molecular formula C22H42O3 and molecular weight 354.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氧代丁酸十八烷基酯
octadecyl 3-oxobutanoate
Also Known As: Octadecyl acetoacetate, octadecyl 3-oxobutanoate, stearyl acetoacetate, n-octadecyl acetoacetate, Butanoic acid, 3-oxo-, octadecyl ester
| Molecular Formula | C22H42O3 |
|---|---|
| Molecular Weight | 354.31 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 354.3134 |
| Heavy Atoms | 25 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 19150-71-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CC(=O)C |
| InChIKey | BMOMBHKAYGMGCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氧代丁酸十八烷基酯 (CAS 19150-71-1), with molecular formula C22H42O3 and molecular weight 354.31 g/mol. IUPAC: octadecyl 3-oxobutanoate.
Chemical Property Profile of 3-氧代丁酸十八烷基酯
Property Insights of 3-氧代丁酸十八烷基酯
The XLogP value of 8.7 indicates that 3-氧代丁酸十八烷基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3-氧代丁酸十八烷基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氧代丁酸十八烷基酯 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-氧代丁酸十八烷基酯?
The CAS number of 3-氧代丁酸十八烷基酯 is 19150-71-1.
What is the molecular formula of 3-氧代丁酸十八烷基酯?
The molecular formula of 3-氧代丁酸十八烷基酯 is C22H42O3.
What is the molecular weight of 3-氧代丁酸十八烷基酯?
The molecular weight of 3-氧代丁酸十八烷基酯 is 354.31 g/mol.
Where can I buy 3-氧代丁酸十八烷基酯?
You can request a quote for 3-氧代丁酸十八烷基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代丁酸十八烷基酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代丁酸十八烷基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.