Dodecanoic acid, 2,4,6-trimethyl-, methyl ester
TL;DR: Dodecanoic acid, 2,4,6-trimethyl-, methyl ester (CAS 57289-31-3) is a chemical compound with molecular formula C16H32O2 and molecular weight 256.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4,6-trimethyldodecanoate
Also Known As: Methyl 2,4,6-trimethyldodecanoate, Methyl 2,4,6-trimethyldodecanoate #, 2,4,6-Trimethyldodecanoic acid methyl ester, Dodecanoic acid, 2,4,6-trimethyl-, methyl ester
| Molecular Formula | C16H32O2 |
|---|---|
| Molecular Weight | 256.24 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 256.24023 |
| Heavy Atoms | 18 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 57289-31-3 |
|---|---|
| SMILES | CCCCCCC(C)CC(C)CC(C)C(=O)OC |
| InChIKey | PDHMVWMANYCHBJ-UHFFFAOYSA-N |
Product Overview
Dodecanoic acid, 2,4,6-trimethyl-, methyl ester (CAS 57289-31-3), with molecular formula C16H32O2 and molecular weight 256.24 g/mol. IUPAC: methyl 2,4,6-trimethyldodecanoate.
Chemical Property Profile of Dodecanoic acid, 2,4,6-trimethyl-, methyl ester
Property Insights of Dodecanoic acid, 2,4,6-trimethyl-, methyl ester
The XLogP value of 6.4 indicates that Dodecanoic acid, 2,4,6-trimethyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Dodecanoic acid, 2,4,6-trimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecanoic acid, 2,4,6-trimethyl-, methyl ester 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 Dodecanoic acid, 2,4,6-trimethyl-, methyl ester?
The CAS number of Dodecanoic acid, 2,4,6-trimethyl-, methyl ester is 57289-31-3.
What is the molecular formula of Dodecanoic acid, 2,4,6-trimethyl-, methyl ester?
The molecular formula of Dodecanoic acid, 2,4,6-trimethyl-, methyl ester is C16H32O2.
What is the molecular weight of Dodecanoic acid, 2,4,6-trimethyl-, methyl ester?
The molecular weight of Dodecanoic acid, 2,4,6-trimethyl-, methyl ester is 256.24 g/mol.
Where can I buy Dodecanoic acid, 2,4,6-trimethyl-, methyl ester?
You can request a quote for Dodecanoic acid, 2,4,6-trimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecanoic acid, 2,4,6-trimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dodecanoic acid, 2,4,6-trimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.