Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate
TL;DR: Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate (CAS 300677-33-2) is a chemical compound with molecular formula C23H24O6 and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-diphenacylpropanedioate
Also Known As: diethyl 2,2-diphenacylpropanedioate, diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate, 1,3-Diethyl 2,2-bis(2-oxo-2-phenylethyl)propanedioate, diethyl2,2-bis(2-oxo-2-phenylethyl)malonate, AE-018/31862006
| Molecular Formula | C23H24O6 |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 396.1573 |
| Heavy Atoms | 29 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 300677-33-2 |
|---|---|
| SMILES | CCOC(=O)C(CC(=O)C1=CC=CC=C1)(CC(=O)C2=CC=CC=C2)C(=O)OCC |
| InChIKey | KYOASCYCPKRMGC-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate (CAS 300677-33-2), with molecular formula C23H24O6 and molecular weight 396.16 g/mol. IUPAC: diethyl 2,2-diphenacylpropanedioate.
Chemical Property Profile of Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate
Property Insights of Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate
The XLogP value of 3.4 indicates that Diethyl 2,2-bis(2-oxo-2-phenylethyl)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 2,2-bis(2-oxo-2-phenylethyl)malonate. Following Lipinski's Rule of Five, Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate?
The CAS number of Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate is 300677-33-2.
What is the molecular formula of Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate?
The molecular formula of Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate is C23H24O6.
What is the molecular weight of Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate?
The molecular weight of Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate is 396.16 g/mol.
Where can I buy Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate?
You can request a quote for Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2-bis(2-oxo-2-phenylethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.