Phenacyl Octadec-9-enoate
TL;DR: Phenacyl Octadec-9-enoate (CAS 90123-89-0) is a chemical compound with molecular formula C26H40O3 and molecular weight 400.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl octadec-9-enoate
Also Known As: Phenacyl Octadec-9-enoate, 3-Butyl-piperazin-2,5-dion, 2-OXO-2-PHENYLETHYL OCTADEC-9-ENOATE, 9-Octadecenoic acid, 2-oxo-2-phenylethyl ester, (E)-
| Molecular Formula | C26H40O3 |
|---|---|
| Molecular Weight | 400.30 g/mol |
| LogP | 7.45 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 400.29776 |
| Heavy Atoms | 29 |
| Complexity | 562.576 |
Chemical Identifiers
| CAS Number | 90123-89-0 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(=O)C1=CC=CC=C1 |
Product Overview
Phenacyl Octadec-9-enoate (CAS 90123-89-0), with molecular formula C26H40O3 and molecular weight 400.30 g/mol. IUPAC: phenacyl octadec-9-enoate.
Chemical Property Profile of Phenacyl Octadec-9-enoate
Property Insights of Phenacyl Octadec-9-enoate
The XLogP value of 7.45 indicates that Phenacyl Octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Phenacyl Octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenacyl Octadec-9-enoate 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 Phenacyl Octadec-9-enoate?
The CAS number of Phenacyl Octadec-9-enoate is 90123-89-0.
What is the molecular formula of Phenacyl Octadec-9-enoate?
The molecular formula of Phenacyl Octadec-9-enoate is C26H40O3.
What is the molecular weight of Phenacyl Octadec-9-enoate?
The molecular weight of Phenacyl Octadec-9-enoate is 400.30 g/mol.
Where can I buy Phenacyl Octadec-9-enoate?
You can request a quote for Phenacyl Octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl Octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl Octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.