Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate
TL;DR: Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate (CAS 75087-01-3) is a chemical compound with molecular formula C20H26O7 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate
Also Known As: NCIOpen2_007499, Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate, 2,4-Diacetyl-3-(4-methoxy-phenyl)-pentanedioic acid diethyl ester, DIETHYL 2,2'-(4-METHOXYBENZYLIDENE)-BIS-ACETOACETATE, Ethanedione, diphenyl-, mono(phenylhydrazone)
| Molecular Formula | C20H26O7 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 378.16785 |
| Heavy Atoms | 27 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 75087-01-3 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=C(C=C1)OC)C(C(=O)C)C(=O)OCC)C(=O)C |
| InChIKey | BUKMMVFKLUGONE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate (CAS 75087-01-3), with molecular formula C20H26O7 and molecular weight 378.17 g/mol. IUPAC: diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate.
Chemical Property Profile of Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate
Property Insights of Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate. Following Lipinski's Rule of Five, Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate has 0 hydrogen bond donor(s) and 7 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 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate?
The CAS number of Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate is 75087-01-3.
What is the molecular formula of Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate?
The molecular formula of Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate is C20H26O7.
What is the molecular weight of Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate?
The molecular weight of Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate is 378.17 g/mol.
Where can I buy Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate?
You can request a quote for Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,4-diacetyl-3-(4-methoxyphenyl)pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.