Diethyl-4-phenanthroyl malonate
TL;DR: Diethyl-4-phenanthroyl malonate (CAS 26698-30-6) is a chemical compound with molecular formula C22H20O5 and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(phenanthrene-4-carbonyl)propanedioate
Also Known As: Diethyl-4-phenanthroyl malonate, Diethyl 2-(4-phenanthrylcarbonyl)malonate, diethyl 2-(phenanthrene-4-carbonyl)propanedioate, Diethyl 2-(4-phenanthrylcarbonyl)malonate #, Diethyl (phenanthrene-4-carbonyl)propanedioate
| Molecular Formula | C22H20O5 |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.13107 |
| Heavy Atoms | 27 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 26698-30-6 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C1=CC=CC2=C1C3=CC=CC=C3C=C2)C(=O)OCC |
| InChIKey | VSJMSXYAXBGOEE-UHFFFAOYSA-N |
Product Overview
Diethyl-4-phenanthroyl malonate (CAS 26698-30-6), with molecular formula C22H20O5 and molecular weight 364.13 g/mol. IUPAC: diethyl 2-(phenanthrene-4-carbonyl)propanedioate.
Chemical Property Profile of Diethyl-4-phenanthroyl malonate
Property Insights of Diethyl-4-phenanthroyl malonate
The XLogP value of 5.0 indicates that Diethyl-4-phenanthroyl malonate 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-4-phenanthroyl malonate. Following Lipinski's Rule of Five, Diethyl-4-phenanthroyl malonate 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-4-phenanthroyl malonate?
The CAS number of Diethyl-4-phenanthroyl malonate is 26698-30-6.
What is the molecular formula of Diethyl-4-phenanthroyl malonate?
The molecular formula of Diethyl-4-phenanthroyl malonate is C22H20O5.
What is the molecular weight of Diethyl-4-phenanthroyl malonate?
The molecular weight of Diethyl-4-phenanthroyl malonate is 364.13 g/mol.
Where can I buy Diethyl-4-phenanthroyl malonate?
You can request a quote for Diethyl-4-phenanthroyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-4-phenanthroyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-4-phenanthroyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.