1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester
TL;DR: 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester (CAS 41287-85-8) is a chemical compound with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4,7-dioxo-1,10-dihydro-1,10-phenanthroline-3,8-dicarboxylate
Also Known As: Diethyl 4,7-dihydroxy-1,10-phenanthroline-3,8-dicarboxylate, 3,8-Dicarboethoxy-4,7-dihydroxy-1,10-phenanthroline, diethyl 4,7-dioxo-1,10-dihydro-1,10-phenanthroline-3,8-dicarboxylate, 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, diethyl ester, 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester
| Molecular Formula | C18H16N2O6 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.10083 |
| Heavy Atoms | 26 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 41287-85-8 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C1=O)C=CC3=C2NC=C(C3=O)C(=O)OCC |
| InChIKey | PMZGJTQGPUEOKK-UHFFFAOYSA-N |
Product Overview
1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester (CAS 41287-85-8), with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol. IUPAC: diethyl 4,7-dioxo-1,10-dihydro-1,10-phenanthroline-3,8-dicarboxylate.
Chemical Property Profile of 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester
Property Insights of 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester. Following Lipinski's Rule of Five, 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester has 2 hydrogen bond donor(s) and 8 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 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester?
The CAS number of 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester is 41287-85-8.
What is the molecular formula of 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester?
The molecular formula of 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester is C18H16N2O6.
What is the molecular weight of 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester?
The molecular weight of 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester is 356.10 g/mol.
Where can I buy 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester?
You can request a quote for 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,10-Phenanthroline-3,8-dicarboxylic acid, 4,7-dihydroxy-, 3,8-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.