Phenanthrene-3,6-dicarboxylic acid diethyl ester
TL;DR: Phenanthrene-3,6-dicarboxylic acid diethyl ester (CAS 20153-25-7) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl phenanthrene-3,6-dicarboxylate
Also Known As: Diethyl Phenanthrene-3,6-dicarboxylate, PHENANTHRENE-3,6-DICARBOXYLIC ACID DIETHYL ESTER
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 4.3464 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 850.719 |
Chemical Identifiers
| CAS Number | 20153-25-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=CC3=C2C=C(C=C3)C(=O)OCC)C=C1 |
Product Overview
Phenanthrene-3,6-dicarboxylic acid diethyl ester (CAS 20153-25-7), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: diethyl phenanthrene-3,6-dicarboxylate.
Chemical Property Profile of Phenanthrene-3,6-dicarboxylic acid diethyl ester
Property Insights of Phenanthrene-3,6-dicarboxylic acid diethyl ester
The XLogP value of 4.3464 indicates that Phenanthrene-3,6-dicarboxylic acid diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Phenanthrene-3,6-dicarboxylic acid diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenanthrene-3,6-dicarboxylic acid diethyl ester has 0 hydrogen bond donor(s) and 4 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 Phenanthrene-3,6-dicarboxylic acid diethyl ester?
The CAS number of Phenanthrene-3,6-dicarboxylic acid diethyl ester is 20153-25-7.
What is the molecular formula of Phenanthrene-3,6-dicarboxylic acid diethyl ester?
The molecular formula of Phenanthrene-3,6-dicarboxylic acid diethyl ester is C20H18O4.
What is the molecular weight of Phenanthrene-3,6-dicarboxylic acid diethyl ester?
The molecular weight of Phenanthrene-3,6-dicarboxylic acid diethyl ester is 322.12 g/mol.
Where can I buy Phenanthrene-3,6-dicarboxylic acid diethyl ester?
You can request a quote for Phenanthrene-3,6-dicarboxylic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenanthrene-3,6-dicarboxylic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phenanthrene-3,6-dicarboxylic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.