Malonic acid, hexadecyl-, dimethyl ester
TL;DR: Malonic acid, hexadecyl-, dimethyl ester (CAS 23130-42-9) is a chemical compound with molecular formula C21H40O4 and molecular weight 356.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-hexadecylpropanedioate
Also Known As: methyl carbomethoxystearate, Dimethyl n-hexadecylmalonate, Dimethyl 2-hexadecylmalonate, Dimethyl 2-hexadecylmalonate #, dimethyl 2-hexadecylpropanedioate
| Molecular Formula | C21H40O4 |
|---|---|
| Molecular Weight | 356.29 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 356.29266 |
| Heavy Atoms | 25 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 23130-42-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(C(=O)OC)C(=O)OC |
| InChIKey | QUGYMSAWUNBFFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Malonic acid, hexadecyl-, dimethyl ester (CAS 23130-42-9), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: dimethyl 2-hexadecylpropanedioate.
Chemical Property Profile of Malonic acid, hexadecyl-, dimethyl ester
Property Insights of Malonic acid, hexadecyl-, dimethyl ester
The XLogP value of 8.6 indicates that Malonic acid, hexadecyl-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Malonic acid, hexadecyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malonic acid, hexadecyl-, dimethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malonic acid, hexadecyl-, dimethyl ester?
The CAS number of Malonic acid, hexadecyl-, dimethyl ester is 23130-42-9.
What is the molecular formula of Malonic acid, hexadecyl-, dimethyl ester?
The molecular formula of Malonic acid, hexadecyl-, dimethyl ester is C21H40O4.
What is the molecular weight of Malonic acid, hexadecyl-, dimethyl ester?
The molecular weight of Malonic acid, hexadecyl-, dimethyl ester is 356.29 g/mol.
Where can I buy Malonic acid, hexadecyl-, dimethyl ester?
You can request a quote for Malonic acid, hexadecyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, hexadecyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, hexadecyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.