Diethyl hexadecylmalonate
TL;DR: Diethyl hexadecylmalonate (CAS 41433-81-2) is a chemical compound with molecular formula C23H44O4 and molecular weight 384.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-hexadecylpropanedioate
Also Known As: Diethyl hexadecylmalonate, Diethyl cetylmalonate, Diethyl n-hexadecylmalonate, diethyl 2-hexadecylpropanedioate, Diethyl 2-hexadecylmalonate
| Molecular Formula | C23H44O4 |
|---|---|
| Molecular Weight | 384.32 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 384.32397 |
| Heavy Atoms | 27 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 41433-81-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC |
| InChIKey | LPEPQDSUFATBAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl hexadecylmalonate (CAS 41433-81-2), with molecular formula C23H44O4 and molecular weight 384.32 g/mol. IUPAC: diethyl 2-hexadecylpropanedioate.
Chemical Property Profile of Diethyl hexadecylmalonate
Property Insights of Diethyl hexadecylmalonate
The XLogP value of 9.4 indicates that Diethyl hexadecylmalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl hexadecylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl hexadecylmalonate 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 Diethyl hexadecylmalonate?
The CAS number of Diethyl hexadecylmalonate is 41433-81-2.
What is the molecular formula of Diethyl hexadecylmalonate?
The molecular formula of Diethyl hexadecylmalonate is C23H44O4.
What is the molecular weight of Diethyl hexadecylmalonate?
The molecular weight of Diethyl hexadecylmalonate is 384.32 g/mol.
Where can I buy Diethyl hexadecylmalonate?
You can request a quote for Diethyl hexadecylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl hexadecylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl hexadecylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.