Dicetyl malonate
TL;DR: Dicetyl malonate (CAS 5414-70-0) is a chemical compound with molecular formula C35H68O4 and molecular weight 552.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihexadecyl propanedioate
Also Known As: dicetyl malonate, dihexadecyl propanedioate, dihexadecyl malonate, dihexadecyl propane-1,3-dioate, Malonic acid dihexadecyl ester
| Molecular Formula | C35H68O4 |
|---|---|
| Molecular Weight | 552.51 g/mol |
| LogP | 15.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 34 |
| Exact Mass | 552.5118 |
| Heavy Atoms | 39 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 5414-70-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCCCCCCCC |
| InChIKey | DLQPKVNBNGRICI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dicetyl malonate (CAS 5414-70-0), with molecular formula C35H68O4 and molecular weight 552.51 g/mol. IUPAC: dihexadecyl propanedioate.
Chemical Property Profile of Dicetyl malonate
Property Insights of Dicetyl malonate
The XLogP value of 15.6 indicates that Dicetyl malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dicetyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dicetyl malonate 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 Dicetyl malonate?
The CAS number of Dicetyl malonate is 5414-70-0.
What is the molecular formula of Dicetyl malonate?
The molecular formula of Dicetyl malonate is C35H68O4.
What is the molecular weight of Dicetyl malonate?
The molecular weight of Dicetyl malonate is 552.51 g/mol.
Where can I buy Dicetyl malonate?
You can request a quote for Dicetyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicetyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Dicetyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.