Methyl octadec-12-enoate
TL;DR: Methyl octadec-12-enoate (CAS 2733-86-0) is a chemical compound with molecular formula C19H36O2 and molecular weight 296.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl octadec-12-enoate
Also Known As: methyl octadec-12-enoate, methyl 12-octadecenoate, 12-Octadecenoic acid, methyl ester, 12(Z)-Octadecenoic acid Methyl ester, 12-Octadecenoic acid, methyl ester, (Z)-
| Molecular Formula | C19H36O2 |
|---|---|
| Molecular Weight | 296.27 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 296.27155 |
| Heavy Atoms | 21 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 2733-86-0 |
|---|---|
| SMILES | CCCCCC=CCCCCCCCCCCC(=O)OC |
| InChIKey | LMWAESDDOGRMOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl octadec-12-enoate (CAS 2733-86-0), with molecular formula C19H36O2 and molecular weight 296.27 g/mol. IUPAC: methyl octadec-12-enoate.
Chemical Property Profile of Methyl octadec-12-enoate
Property Insights of Methyl octadec-12-enoate
The XLogP value of 7.6 indicates that Methyl octadec-12-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, Methyl octadec-12-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl octadec-12-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 Methyl octadec-12-enoate?
The CAS number of Methyl octadec-12-enoate is 2733-86-0.
What is the molecular formula of Methyl octadec-12-enoate?
The molecular formula of Methyl octadec-12-enoate is C19H36O2.
What is the molecular weight of Methyl octadec-12-enoate?
The molecular weight of Methyl octadec-12-enoate is 296.27 g/mol.
Where can I buy Methyl octadec-12-enoate?
You can request a quote for Methyl octadec-12-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl octadec-12-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl octadec-12-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.