EINECS 278-681-0
TL;DR: EINECS 278-681-0 (CAS 77394-54-8) is a chemical compound with molecular formula C21H12N4O4 and molecular weight 384.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(9,10-dioxoanthracen-1-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
Also Known As: EINECS 278-681-0, 5-((9,10-Dihydro-9,10-dioxo-1-anthryl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, (5Z)-5-[(9,10-dioxoanthracen-1-yl)hydrazinylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile, (5E)-5-[(9,10-dioxoanthracen-1-yl)hydrazinylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile, 3-Pyridinecarbonitrile,5-[2-(9,10-dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-
| Molecular Formula | C21H12N4O4 |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 3.4514 |
| Topological Polar Surface Area | 135.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.08585 |
| Heavy Atoms | 29 |
| Complexity | 1345.7627 |
Chemical Identifiers
| CAS Number | 77394-54-8 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=C1C#N)O)N=NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O |
Product Overview
EINECS 278-681-0 (CAS 77394-54-8), with molecular formula C21H12N4O4 and molecular weight 384.09 g/mol. IUPAC: 5-[(9,10-dioxoanthracen-1-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of EINECS 278-681-0
Property Insights of EINECS 278-681-0
The XLogP value of 3.4514 indicates that EINECS 278-681-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.74 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 278-681-0. Following Lipinski's Rule of Five, EINECS 278-681-0 has 2 hydrogen bond donor(s) and 7 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 EINECS 278-681-0?
The CAS number of EINECS 278-681-0 is 77394-54-8.
What is the molecular formula of EINECS 278-681-0?
The molecular formula of EINECS 278-681-0 is C21H12N4O4.
What is the molecular weight of EINECS 278-681-0?
The molecular weight of EINECS 278-681-0 is 384.09 g/mol.
Where can I buy EINECS 278-681-0?
You can request a quote for EINECS 278-681-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 278-681-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 278-681-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.