Octadec-9-en-1-yl 2-methylprop-2-enoate
TL;DR: Octadec-9-en-1-yl 2-methylprop-2-enoate (CAS 45280-68-0) is a chemical compound with molecular formula C22H40O2 and molecular weight 336.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadec-9-enyl 2-methylprop-2-enoate
Also Known As: 9-Octadecenyl methacrylate, octadec-9-en-1-yl 2-methylprop-2-enoate, 9-Octadecen-1-yl 2-methyl-2-propenoate, 2-Propenoic acid,2-methyl-, (9Z)-9-octadecen-1-yl ester, 2-Propenoic acid,2-methyl-, 9-octadecen-1-yl ester
| Molecular Formula | C22H40O2 |
|---|---|
| Molecular Weight | 336.30 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 336.30283 |
| Heavy Atoms | 24 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 45280-68-0 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCCOC(=O)C(=C)C |
| InChIKey | BXOBFMUWVVHLFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadec-9-en-1-yl 2-methylprop-2-enoate (CAS 45280-68-0), with molecular formula C22H40O2 and molecular weight 336.30 g/mol. IUPAC: octadec-9-enyl 2-methylprop-2-enoate.
Chemical Property Profile of Octadec-9-en-1-yl 2-methylprop-2-enoate
Property Insights of Octadec-9-en-1-yl 2-methylprop-2-enoate
The XLogP value of 9.5 indicates that Octadec-9-en-1-yl 2-methylprop-2-enoate 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-en-1-yl 2-methylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadec-9-en-1-yl 2-methylprop-2-enoate 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-en-1-yl 2-methylprop-2-enoate?
The CAS number of Octadec-9-en-1-yl 2-methylprop-2-enoate is 45280-68-0.
What is the molecular formula of Octadec-9-en-1-yl 2-methylprop-2-enoate?
The molecular formula of Octadec-9-en-1-yl 2-methylprop-2-enoate is C22H40O2.
What is the molecular weight of Octadec-9-en-1-yl 2-methylprop-2-enoate?
The molecular weight of Octadec-9-en-1-yl 2-methylprop-2-enoate is 336.30 g/mol.
Where can I buy Octadec-9-en-1-yl 2-methylprop-2-enoate?
You can request a quote for Octadec-9-en-1-yl 2-methylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadec-9-en-1-yl 2-methylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Octadec-9-en-1-yl 2-methylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.