C.I. Direct Brown 58
TL;DR: C.I. Direct Brown 58 (CAS 6426-59-1) is a chemical compound with molecular formula C9H4FN3O2 and molecular weight 205.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diazonio-6-fluoro-4-oxo-1H-quinolin-2-olate
Also Known As: C.I. Direct Brown 58, 3-diazonio-6-fluoro-4-oxo-1H-quinolin-2-olate, C.I. Direct Brown 58, disodium salt, 3-diazo-6-fluoro-2,4(1H,3H)-quinolinedione, AE-406/41057145
| Molecular Formula | C9H4FN3O2 |
|---|---|
| Molecular Weight | 205.03 g/mol |
| LogP | 1.22538 |
| Topological Polar Surface Area | 84.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.02875 |
| Heavy Atoms | 15 |
| Complexity | 642.0731 |
Chemical Identifiers
| CAS Number | 6426-59-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C(=O)C(=C(N2)[O-])[N+]#N |
Product Overview
C.I. Direct Brown 58 (CAS 6426-59-1), with molecular formula C9H4FN3O2 and molecular weight 205.03 g/mol. IUPAC: 3-diazonio-6-fluoro-4-oxo-1H-quinolin-2-olate.
Chemical Property Profile of C.I. Direct Brown 58
Property Insights of C.I. Direct Brown 58
The XLogP value of 1.22538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Direct Brown 58. The TPSA of 84.07 Ų falls within the moderate polarity range, balancing permeability and solubility for C.I. Direct Brown 58. Following Lipinski's Rule of Five, C.I. Direct Brown 58 has 1 hydrogen bond donor(s) and 3 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 C.I. Direct Brown 58?
The CAS number of C.I. Direct Brown 58 is 6426-59-1.
What is the molecular formula of C.I. Direct Brown 58?
The molecular formula of C.I. Direct Brown 58 is C9H4FN3O2.
What is the molecular weight of C.I. Direct Brown 58?
The molecular weight of C.I. Direct Brown 58 is 205.03 g/mol.
Where can I buy C.I. Direct Brown 58?
You can request a quote for C.I. Direct Brown 58 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Brown 58?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Brown 58 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.