Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate
TL;DR: Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate (CAS 7472-83-5) is a chemical compound with molecular formula C22H24O5 and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-oxo-1,3-diphenylpropyl)propanedioate
Also Known As: diethyl 2-(3-oxo-1,3-diphenylpropyl)malonate, diethyl 2-(3-oxo-1,3-diphenylpropyl)propanedioate, Diethyl (3-oxo-1,3-diphenylpropyl)malonate, BIM-0012094.P001, Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate
| Molecular Formula | C22H24O5 |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 368.16238 |
| Heavy Atoms | 27 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 7472-83-5 |
|---|---|
| SMILES | CCOC(=O)C(C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OCC |
| InChIKey | GUJPBXVQEMZFLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate (CAS 7472-83-5), with molecular formula C22H24O5 and molecular weight 368.16 g/mol. IUPAC: diethyl 2-(3-oxo-1,3-diphenylpropyl)propanedioate.
Chemical Property Profile of Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate
Property Insights of Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate
The XLogP value of 4.0 indicates that Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate. Following Lipinski's Rule of Five, Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate has 0 hydrogen bond donor(s) and 5 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 (3-oxo-1,3-diphenylpropyl)propanedioate?
The CAS number of Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate is 7472-83-5.
What is the molecular formula of Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate?
The molecular formula of Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate is C22H24O5.
What is the molecular weight of Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate?
The molecular weight of Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate is 368.16 g/mol.
Where can I buy Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate?
You can request a quote for Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (3-oxo-1,3-diphenylpropyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.