Octadec-9-enyl 16-methylheptadecanoate
TL;DR: Octadec-9-enyl 16-methylheptadecanoate (CAS 67989-86-0) 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.
octadec-9-enyl 16-methylheptadecanoate
Also Known As: Oleyl isostearate
| 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 | 67989-86-0 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C |
| InChIKey | AVIRVCOMMNJIBK-UHFFFAOYSA-N |
Product Overview
Octadec-9-enyl 16-methylheptadecanoate (CAS 67989-86-0), with molecular formula C36H70O2 and molecular weight 534.54 g/mol. IUPAC: octadec-9-enyl 16-methylheptadecanoate.
Chemical Property Profile of Octadec-9-enyl 16-methylheptadecanoate
Property Insights of Octadec-9-enyl 16-methylheptadecanoate
The XLogP value of 16.1 indicates that Octadec-9-enyl 16-methylheptadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octadec-9-enyl 16-methylheptadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadec-9-enyl 16-methylheptadecanoate 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 Octadec-9-enyl 16-methylheptadecanoate?
The CAS number of Octadec-9-enyl 16-methylheptadecanoate is 67989-86-0.
What is the molecular formula of Octadec-9-enyl 16-methylheptadecanoate?
The molecular formula of Octadec-9-enyl 16-methylheptadecanoate is C36H70O2.
What is the molecular weight of Octadec-9-enyl 16-methylheptadecanoate?
The molecular weight of Octadec-9-enyl 16-methylheptadecanoate is 534.54 g/mol.
Where can I buy Octadec-9-enyl 16-methylheptadecanoate?
You can request a quote for Octadec-9-enyl 16-methylheptadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadec-9-enyl 16-methylheptadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Octadec-9-enyl 16-methylheptadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.