4-oxo-1H-1,10-phenanthroline-3-carboxylic acid
TL;DR: 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid (CAS 53946-49-9) is a chemical compound with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-1H-1,10-phenanthroline-3-carboxylic acid
Also Known As: 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid, 4-Oxo-1,4-dihydro-1,10-phenanthroline-3-carboxylic acid, 1,4-dihydrophenonthrolin-4-one-3-Carboxylic acid, 4-oxo-1,4-dihydro-[1,10]phenanthroline-3-carboxylic acid, 3-Acetyl-1H-[1,10]phenanthrolin-4-one
| Molecular Formula | C13H8N2O3 |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.0535 |
| Heavy Atoms | 18 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 53946-49-9 |
|---|---|
| SMILES | C1=CC2=C(C3=C(C=C2)C(=O)C(=CN3)C(=O)O)N=C1 |
| InChIKey | XZZHOJONZJQARN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-oxo-1H-1,10-phenanthroline-3-carboxylic acid (CAS 53946-49-9), with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol. IUPAC: 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid.
Chemical Property Profile of 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid
Property Insights of 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid. Following Lipinski's Rule of Five, 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid has 2 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 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid?
The CAS number of 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid is 53946-49-9.
What is the molecular formula of 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid?
The molecular formula of 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid is C13H8N2O3.
What is the molecular weight of 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid?
The molecular weight of 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid is 240.05 g/mol.
Where can I buy 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid?
You can request a quote for 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.