RefChem:412263
TL;DR: RefChem:412263 (CAS 75214-63-0) is a chemical compound with molecular formula C37H33N9O5+2 and molecular weight 683.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-6-oxo-1H-pyridin-3-yl]diazenyl]-N-[4-[[2-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-6-oxo-1H-pyridin-3-yl]diazenyl]phenyl]benzamide
Also Known As: EINECS 278-130-4, 1,3'-Bipyridinium, 5'-(2-(4-((4-(2-(1',6'-dihydro-2'-hydroxy-3,4'-dimethyl-6'-oxo(1,3'-bipyridinium)-5'-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-1',6'-dihydro-2'-hydroxy-3,4'-dimethyl-6'-oxo-, 2-hydroxypropanoate (1:2), Pyridinium, 1,1'-((iminocarbonyl)bis(4,1-phenylene)bis(azo)bis(1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3,5-pyridinediyl))bis(3-methyl-, bis(lactate), 1,3'-Bipyridinium, 5'-((4-((4-((1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo(1,3'-bipyridinium)-5'-yl)azo)benzoyl)amino)phenyl)azo)-1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-, salt with 2-hydroxypropanoic acid (1:2), 1,3'-Bipyridinium, 5'-(2-(4-((4-(2-(1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo(1,3'-bipyridinium)-5'-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-, 2-hydroxypropanoate (1:2)
| Molecular Formula | C37H33N9O5+2 |
|---|---|
| Molecular Weight | 683.26 g/mol |
| LogP | 6.34458 |
| Topological Polar Surface Area | 192.48 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 683.26044 |
| Heavy Atoms | 51 |
| Complexity | 2468.407 |
Chemical Identifiers
| CAS Number | 75214-63-0 |
|---|---|
| SMILES | CC1=C[N+](=CC=C1)C2=C(C(=C(NC2=O)O)N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=NC5=C(NC(=O)C(=C5C)[N+]6=CC=CC(=C6)C)O)C |
Product Overview
RefChem:412263 (CAS 75214-63-0), with molecular formula C37H33N9O5+2 and molecular weight 683.26 g/mol. IUPAC: 4-[[2-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-6-oxo-1H-pyridin-3-yl]diazenyl]-N-[4-[[2-hydroxy-4-methyl-5-(3-methylpyridin-1-ium-1-yl)-6-oxo-1H-pyridin-3-yl]diazenyl]phenyl]benzamide.
Chemical Property Profile of RefChem:412263
Property Insights of RefChem:412263
The XLogP value of 6.34458 indicates that RefChem:412263 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.48 Ų indicates high polarity, suggesting RefChem:412263 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:412263 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:412263?
The CAS number of RefChem:412263 is 75214-63-0.
What is the molecular formula of RefChem:412263?
The molecular formula of RefChem:412263 is C37H33N9O5+2.
What is the molecular weight of RefChem:412263?
The molecular weight of RefChem:412263 is 683.26 g/mol.
Where can I buy RefChem:412263?
You can request a quote for RefChem:412263 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:412263?
Yes, KEHONG BIO provides custom synthesis services for RefChem:412263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.