Butyl 12-hydroxyoctadecanoate
TL;DR: Butyl 12-hydroxyoctadecanoate (CAS 5417-30-1) is a chemical compound with molecular formula C22H44O3 and molecular weight 356.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 12-hydroxyoctadecanoate
Also Known As: Butyl 12-hydroxyoctadecanoate, butyl 12-hy-droxystearate, butyl12-hydroxyoctadecanoate, 12-Hydroxystearic acid butyl ester, 12-Hydroxyoctadecanoic acid butyl ester
| Molecular Formula | C22H44O3 |
|---|---|
| Molecular Weight | 356.33 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 356.32904 |
| Heavy Atoms | 25 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 5417-30-1 |
|---|---|
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)OCCCC)O |
| InChIKey | UJMGZZUDBFIODG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 12-hydroxyoctadecanoate (CAS 5417-30-1), with molecular formula C22H44O3 and molecular weight 356.33 g/mol. IUPAC: butyl 12-hydroxyoctadecanoate.
Chemical Property Profile of Butyl 12-hydroxyoctadecanoate
Property Insights of Butyl 12-hydroxyoctadecanoate
The XLogP value of 7.9 indicates that Butyl 12-hydroxyoctadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Butyl 12-hydroxyoctadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 12-hydroxyoctadecanoate has 1 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 Butyl 12-hydroxyoctadecanoate?
The CAS number of Butyl 12-hydroxyoctadecanoate is 5417-30-1.
What is the molecular formula of Butyl 12-hydroxyoctadecanoate?
The molecular formula of Butyl 12-hydroxyoctadecanoate is C22H44O3.
What is the molecular weight of Butyl 12-hydroxyoctadecanoate?
The molecular weight of Butyl 12-hydroxyoctadecanoate is 356.33 g/mol.
Where can I buy Butyl 12-hydroxyoctadecanoate?
You can request a quote for Butyl 12-hydroxyoctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 12-hydroxyoctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 12-hydroxyoctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.