Bufrolin
TL;DR: Bufrolin (CAS 54867-56-0) 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.
6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
Also Known As: Bufrolin, Bufroline, Bufrolinum, Bufrolino, Bufrolina
| Molecular Formula | C18H16N2O6 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.10083 |
| Heavy Atoms | 26 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 54867-56-0 |
|---|---|
| SMILES | CCCCC1=CC2=C(C3=C1NC(=CC3=O)C(=O)O)NC(=CC2=O)C(=O)O |
| InChIKey | BQVIONBNDNFCCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bufrolin (CAS 54867-56-0), with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol. IUPAC: 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid.
Chemical Property Profile of Bufrolin
Property Insights of Bufrolin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bufrolin. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bufrolin. Following Lipinski's Rule of Five, Bufrolin has 4 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 Bufrolin?
The CAS number of Bufrolin is 54867-56-0.
What is the molecular formula of Bufrolin?
The molecular formula of Bufrolin is C18H16N2O6.
What is the molecular weight of Bufrolin?
The molecular weight of Bufrolin is 356.10 g/mol.
Where can I buy Bufrolin?
You can request a quote for Bufrolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufrolin?
Yes, KEHONG BIO provides custom synthesis services for Bufrolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.