Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate
TL;DR: Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate (CAS 59873-12-0) is a chemical compound with molecular formula C35H32F2O4 and molecular weight 554.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-bis[3-(4-fluorophenyl)propoxy]phenanthrene-3-carboxylate
Also Known As: Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate, ethyl 2,4-bis[3-(4-fluorophenyl)propoxy]phenanthrene-3-carboxylate, Ethyl 2,4-Bis(3-(4-Fluorophenyl)Propoxy)Phenanthrene-3-Carboxylate, 3-Phenanthrenecarboxylic acid, 2,4-bis[3-(4-fluorophenyl)propoxy]-, ethyl ester, 3-Phenanthrenecarboxylicacid, 2,4-bis[3-(4-fluorophenyl)propoxy]-, ethyl ester
| Molecular Formula | C35H32F2O4 |
|---|---|
| Molecular Weight | 554.23 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 554.22687 |
| Heavy Atoms | 41 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 59873-12-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C2C=CC3=CC=CC=C3C2=C1OCCCC4=CC=C(C=C4)F)OCCCC5=CC=C(C=C5)F |
| InChIKey | WDAZXNCCRYPGME-UHFFFAOYSA-N |
Product Overview
Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate (CAS 59873-12-0), with molecular formula C35H32F2O4 and molecular weight 554.23 g/mol. IUPAC: ethyl 2,4-bis[3-(4-fluorophenyl)propoxy]phenanthrene-3-carboxylate.
Chemical Property Profile of Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate
Property Insights of Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate
The XLogP value of 9.4 indicates that Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate 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 Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate?
The CAS number of Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate is 59873-12-0.
What is the molecular formula of Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate?
The molecular formula of Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate is C35H32F2O4.
What is the molecular weight of Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate?
The molecular weight of Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate is 554.23 g/mol.
Where can I buy Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate?
You can request a quote for Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-bis(3-(4-fluorophenyl)propoxy)-3-phenanthrenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.