Methyl 12-methyltridecanoate
TL;DR: Methyl 12-methyltridecanoate (CAS 5129-58-8) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 12-methyltridecanoate
Also Known As: Methyl 12-methyltridecanoate, Methyl isomyristate, METHYL ISOTETRADECANOATE, Tridecanoic acid, 12-methyl-, methyl ester, 12-Methyltridecanoic acid methyl ester
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 5129-58-8 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCC(=O)OC |
| InChIKey | FLESKWMKPOBWDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 12-methyltridecanoate (CAS 5129-58-8), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: methyl 12-methyltridecanoate.
Chemical Property Profile of Methyl 12-methyltridecanoate
Property Insights of Methyl 12-methyltridecanoate
The XLogP value of 6.5 indicates that Methyl 12-methyltridecanoate 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 12-methyltridecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 12-methyltridecanoate 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 12-methyltridecanoate?
The CAS number of Methyl 12-methyltridecanoate is 5129-58-8.
What is the molecular formula of Methyl 12-methyltridecanoate?
The molecular formula of Methyl 12-methyltridecanoate is C15H30O2.
What is the molecular weight of Methyl 12-methyltridecanoate?
The molecular weight of Methyl 12-methyltridecanoate is 242.22 g/mol.
Where can I buy Methyl 12-methyltridecanoate?
You can request a quote for Methyl 12-methyltridecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 12-methyltridecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 12-methyltridecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.