Methyl 2,3,4-trimethylhexadecanoate
TL;DR: Methyl 2,3,4-trimethylhexadecanoate (CAS 55124-95-3) is a chemical compound with molecular formula C20H40O2 and molecular weight 312.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,4-trimethylhexadecanoate
Also Known As: Methyl 2,3,4-trimethylhexadecanoate, 2,3,4-Trimethylpalmiticacidmethylester, Methyl 2,3,4-trimethylhexadecanoate #, 2,3,4-Trimethylpalmitic acid methyl ester, Hexadecanoic acid, 2,3,4-trimethyl-, methyl ester
| Molecular Formula | C20H40O2 |
|---|---|
| Molecular Weight | 312.30 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 312.30283 |
| Heavy Atoms | 22 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 55124-95-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC(C)C(C)C(C)C(=O)OC |
| InChIKey | YGOVFMOPCPODED-UHFFFAOYSA-N |
Product Overview
Methyl 2,3,4-trimethylhexadecanoate (CAS 55124-95-3), with molecular formula C20H40O2 and molecular weight 312.30 g/mol. IUPAC: methyl 2,3,4-trimethylhexadecanoate.
Chemical Property Profile of Methyl 2,3,4-trimethylhexadecanoate
Property Insights of Methyl 2,3,4-trimethylhexadecanoate
The XLogP value of 8.7 indicates that Methyl 2,3,4-trimethylhexadecanoate 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 2,3,4-trimethylhexadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3,4-trimethylhexadecanoate 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 2,3,4-trimethylhexadecanoate?
The CAS number of Methyl 2,3,4-trimethylhexadecanoate is 55124-95-3.
What is the molecular formula of Methyl 2,3,4-trimethylhexadecanoate?
The molecular formula of Methyl 2,3,4-trimethylhexadecanoate is C20H40O2.
What is the molecular weight of Methyl 2,3,4-trimethylhexadecanoate?
The molecular weight of Methyl 2,3,4-trimethylhexadecanoate is 312.30 g/mol.
Where can I buy Methyl 2,3,4-trimethylhexadecanoate?
You can request a quote for Methyl 2,3,4-trimethylhexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3,4-trimethylhexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3,4-trimethylhexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.