1,7-Phenanthroline-5,6-dione
TL;DR: 1,7-Phenanthroline-5,6-dione (CAS 82701-91-5) is a chemical compound with molecular formula C12H6N2O2 and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-phenanthroline-5,6-dione
Also Known As: 1,7-Phenanthroline-5,6-dione, 1,7-Pad, 1,7-phenanthrolinequinone, 1,7-phenanthroline-5,6-quinone, 5,6-dihydro-1,7-phenanthroline-5,6-dione
| Molecular Formula | C12H6N2O2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 59.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.04292 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 82701-91-5 |
|---|---|
| SMILES | C1=CC2=C(C(=O)C(=O)C3=C2N=CC=C3)N=C1 |
| InChIKey | JBLPWFLKCBTNBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,7-Phenanthroline-5,6-dione (CAS 82701-91-5), with molecular formula C12H6N2O2 and molecular weight 210.04 g/mol. IUPAC: 1,7-phenanthroline-5,6-dione.
Chemical Property Profile of 1,7-Phenanthroline-5,6-dione
Property Insights of 1,7-Phenanthroline-5,6-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Phenanthroline-5,6-dione. With a topological polar surface area (TPSA) of 59.9 Ų, 1,7-Phenanthroline-5,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7-Phenanthroline-5,6-dione 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 1,7-Phenanthroline-5,6-dione?
The CAS number of 1,7-Phenanthroline-5,6-dione is 82701-91-5.
What is the molecular formula of 1,7-Phenanthroline-5,6-dione?
The molecular formula of 1,7-Phenanthroline-5,6-dione is C12H6N2O2.
What is the molecular weight of 1,7-Phenanthroline-5,6-dione?
The molecular weight of 1,7-Phenanthroline-5,6-dione is 210.04 g/mol.
Where can I buy 1,7-Phenanthroline-5,6-dione?
You can request a quote for 1,7-Phenanthroline-5,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Phenanthroline-5,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Phenanthroline-5,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.