Methyl 9,12,13-trimethoxyoctadecanoate
TL;DR: Methyl 9,12,13-trimethoxyoctadecanoate (CAS 55255-76-0) is a chemical compound with molecular formula C22H44O5 and molecular weight 388.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9,12,13-trimethoxyoctadecanoate
Also Known As: Methyl 9,12,13-trimethoxyoctadecanoate, 9,12,13-Trimethoxyoctadecanoic acid methyl ester, Methyl 9,12,13-trimethoxyoctadecanoate #, Octadecanoic acid, 9,12,13-trimethoxy-, methyl ester, RefChem:356476
| Molecular Formula | C22H44O5 |
|---|---|
| Molecular Weight | 388.32 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 388.31888 |
| Heavy Atoms | 27 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 55255-76-0 |
|---|---|
| SMILES | CCCCCC(C(CCC(CCCCCCCC(=O)OC)OC)OC)OC |
| InChIKey | FCJGXRGUSJGSOF-UHFFFAOYSA-N |
Product Overview
Methyl 9,12,13-trimethoxyoctadecanoate (CAS 55255-76-0), with molecular formula C22H44O5 and molecular weight 388.32 g/mol. IUPAC: methyl 9,12,13-trimethoxyoctadecanoate.
Chemical Property Profile of Methyl 9,12,13-trimethoxyoctadecanoate
Property Insights of Methyl 9,12,13-trimethoxyoctadecanoate
The XLogP value of 5.6 indicates that Methyl 9,12,13-trimethoxyoctadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Methyl 9,12,13-trimethoxyoctadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 9,12,13-trimethoxyoctadecanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 9,12,13-trimethoxyoctadecanoate?
The CAS number of Methyl 9,12,13-trimethoxyoctadecanoate is 55255-76-0.
What is the molecular formula of Methyl 9,12,13-trimethoxyoctadecanoate?
The molecular formula of Methyl 9,12,13-trimethoxyoctadecanoate is C22H44O5.
What is the molecular weight of Methyl 9,12,13-trimethoxyoctadecanoate?
The molecular weight of Methyl 9,12,13-trimethoxyoctadecanoate is 388.32 g/mol.
Where can I buy Methyl 9,12,13-trimethoxyoctadecanoate?
You can request a quote for Methyl 9,12,13-trimethoxyoctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9,12,13-trimethoxyoctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9,12,13-trimethoxyoctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.