(9Z)-9-十八碳烯酸异十八烷基酯
TL;DR: (9Z)-9-十八碳烯酸异十八烷基酯 (CAS 57683-45-1) is a chemical compound with molecular formula C36H70O2 and molecular weight 534.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9Z)-9-十八碳烯酸异十八烷基酯
16-methylheptadecyl octadec-9-enoate
Also Known As: Isostearyl oleate, 9-Octadecenoic acid (9Z)-, isooctadecyl ester, 16-methylheptadecyl (Z)-octadec-9-enoate, 9-Octadecenoic acid (Z)-, isooctadecyl ester, RefChem:108121
| Molecular Formula | C36H70O2 |
|---|---|
| Molecular Weight | 534.54 g/mol |
| LogP | 16.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 32 |
| Exact Mass | 534.5376 |
| Heavy Atoms | 38 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 57683-45-1 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C |
| InChIKey | BBBHAOOLZKQYKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(9Z)-9-十八碳烯酸异十八烷基酯 (CAS 57683-45-1), with molecular formula C36H70O2 and molecular weight 534.54 g/mol. IUPAC: 16-methylheptadecyl octadec-9-enoate.
Chemical Property Profile of (9Z)-9-十八碳烯酸异十八烷基酯
Property Insights of (9Z)-9-十八碳烯酸异十八烷基酯
The XLogP value of 16.1 indicates that (9Z)-9-十八碳烯酸异十八烷基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (9Z)-9-十八碳烯酸异十八烷基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (9Z)-9-十八碳烯酸异十八烷基酯 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 (9Z)-9-十八碳烯酸异十八烷基酯?
The CAS number of (9Z)-9-十八碳烯酸异十八烷基酯 is 57683-45-1.
What is the molecular formula of (9Z)-9-十八碳烯酸异十八烷基酯?
The molecular formula of (9Z)-9-十八碳烯酸异十八烷基酯 is C36H70O2.
What is the molecular weight of (9Z)-9-十八碳烯酸异十八烷基酯?
The molecular weight of (9Z)-9-十八碳烯酸异十八烷基酯 is 534.54 g/mol.
Where can I buy (9Z)-9-十八碳烯酸异十八烷基酯?
You can request a quote for (9Z)-9-十八碳烯酸异十八烷基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9Z)-9-十八碳烯酸异十八烷基酯?
Yes, KEHONG BIO provides custom synthesis services for (9Z)-9-十八碳烯酸异十八烷基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.