3-Hydroxybutan-2-yl octadecanoate
TL;DR: 3-Hydroxybutan-2-yl octadecanoate (CAS 14251-39-9) is a chemical compound with molecular formula C22H44O3 and molecular weight 356.32904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxybutan-2-yl octadecanoate
Also Known As: 3-hydroxybutan-2-yl octadecanoate, 2-Hydroxy-1-methylpropyl stearate, 2-Hydroxy-1-methylpropyl stearate #, Stearic acid 2-hydroxy-1-methylpropyl ester, Stearic acid, 2-hydroxy-1-methylpropyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H44O3 |
| Molecular Weight | 356.32904 g/mol |
| XLogP | 8.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 356.32904 Da |
| Heavy Atoms | 25 |
| Complexity | 291.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC(C)C(C)O |
| InChIKey | NTTLZENWAXUMJI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxybutan-2-yl octadecanoate
Property Insights of 3-Hydroxybutan-2-yl octadecanoate
The XLogP value of 8.7 indicates that 3-Hydroxybutan-2-yl octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxybutan-2-yl octadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxybutan-2-yl octadecanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Hydroxybutan-2-yl octadecanoate?
The CAS number of 3-Hydroxybutan-2-yl octadecanoate is 14251-39-9.
What is the molecular formula of 3-Hydroxybutan-2-yl octadecanoate?
The molecular formula of 3-Hydroxybutan-2-yl octadecanoate is C22H44O3.
What is the molecular weight of 3-Hydroxybutan-2-yl octadecanoate?
The molecular weight of 3-Hydroxybutan-2-yl octadecanoate is 356.32904 g/mol.
Where can I buy 3-Hydroxybutan-2-yl octadecanoate?
You can request a quote for 3-Hydroxybutan-2-yl octadecanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxybutan-2-yl octadecanoate?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxybutan-2-yl octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.