ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate
TL;DR: ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate (CAS 49590-04-7) is a chemical compound with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate
Also Known As: 1,4-DPCA ethyl ester, ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate, ETHYL 4-OXO-1,4-DIHYDRO-1,10-PHENANTHROLINE-3-CARBOXYLATE, 1,10-Phenanthroline-3-carboxylicacid, 1,4-dihydro-4-oxo-, ethyl ester, 4-oxo-1,4-dihydro-[1,10]phenanthroline-3-carboxylic acid ethyl ester
| Molecular Formula | C15H12N2O3 |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.08478 |
| Heavy Atoms | 20 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 49590-04-7 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C1=O)C=CC3=C2N=CC=C3 |
| InChIKey | YUPWGIFULUYTQG-UHFFFAOYSA-N |
Product Overview
ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate (CAS 49590-04-7), with molecular formula C15H12N2O3 and molecular weight 268.08 g/mol. IUPAC: ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate.
Chemical Property Profile of ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate
Property Insights of ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate has 1 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 ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate?
The CAS number of ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate is 49590-04-7.
What is the molecular formula of ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate?
The molecular formula of ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate is C15H12N2O3.
What is the molecular weight of ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate?
The molecular weight of ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate is 268.08 g/mol.
Where can I buy ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate?
You can request a quote for ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-oxo-1H-1,10-phenanthroline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.