Diethyl bis(4-pivaloylbenzyl)malonate
TL;DR: Diethyl bis(4-pivaloylbenzyl)malonate (CAS 53780-45-3) is a chemical compound with molecular formula C31H40O6 and molecular weight 508.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-bis[[4-(2,2-dimethylpropanoyl)phenyl]methyl]propanedioate
Also Known As: Diethyl bis(4-pivaloylbenzyl)malonate, bis-(p-pivaloylbenzyl)malonic acid diethyl ester, bis(p-pivaloylbenzyl)malonic acid diethylester, Bis(4-pivaloylbenzyl)malonic acid diethyl ester, bis-(p-pivaloylbenzyl) malonic acid diethyl ester
| Molecular Formula | C31H40O6 |
|---|---|
| Molecular Weight | 508.28 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 508.2825 |
| Heavy Atoms | 37 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 53780-45-3 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)C(=O)C(C)(C)C)(CC2=CC=C(C=C2)C(=O)C(C)(C)C)C(=O)OCC |
| InChIKey | IVRFWIFJCNFJAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl bis(4-pivaloylbenzyl)malonate (CAS 53780-45-3), with molecular formula C31H40O6 and molecular weight 508.28 g/mol. IUPAC: diethyl 2,2-bis[[4-(2,2-dimethylpropanoyl)phenyl]methyl]propanedioate.
Chemical Property Profile of Diethyl bis(4-pivaloylbenzyl)malonate
Property Insights of Diethyl bis(4-pivaloylbenzyl)malonate
The XLogP value of 6.8 indicates that Diethyl bis(4-pivaloylbenzyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl bis(4-pivaloylbenzyl)malonate. Following Lipinski's Rule of Five, Diethyl bis(4-pivaloylbenzyl)malonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl bis(4-pivaloylbenzyl)malonate?
The CAS number of Diethyl bis(4-pivaloylbenzyl)malonate is 53780-45-3.
What is the molecular formula of Diethyl bis(4-pivaloylbenzyl)malonate?
The molecular formula of Diethyl bis(4-pivaloylbenzyl)malonate is C31H40O6.
What is the molecular weight of Diethyl bis(4-pivaloylbenzyl)malonate?
The molecular weight of Diethyl bis(4-pivaloylbenzyl)malonate is 508.28 g/mol.
Where can I buy Diethyl bis(4-pivaloylbenzyl)malonate?
You can request a quote for Diethyl bis(4-pivaloylbenzyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl bis(4-pivaloylbenzyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl bis(4-pivaloylbenzyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.