RefChem:72173
TL;DR: RefChem:72173 (CAS 68214-61-9) is a chemical compound with molecular formula C21H18Cl2N4O7 and molecular weight 508.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,5-dichlorophenyl)diazenyl]-6-hydroxy-4-methyl-3-pyridin-1-ium-1-yl-1H-pyridin-2-one;2,4-dihydroxy-4-oxobutanoate
Also Known As: 1,3'-Bipyridinium, 5'-((2,5-dichlorophenyl)azo)-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-, salt with hydroxybutanedioic acid (1:1), 1,3'-Bipyridinium, 5'-(2-(2,5-dichlorophenyl)diazenyl)-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-, 2-hydroxybutanedioate (1:1), 5'-((2,5-Dichlorophenyl)azo)-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridinium malate, 5'-[(2,5-Dichlorophenyl)azo]-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridinium malate, 1,3'-Bipyridinium, 5'-[2-(2,5-dichlorophenyl)diazenyl]-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-, 2-hydroxybutanedioate (1:1)
| Molecular Formula | C21H18Cl2N4O7 |
|---|---|
| Molecular Weight | 508.06 g/mol |
| LogP | 1.96 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.05527 |
| Heavy Atoms | 34 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 68214-61-9 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=C1N=NC2=C(C=CC(=C2)Cl)Cl)O)[N+]3=CC=CC=C3.C(C(C(=O)[O-])O)C(=O)O |
| InChIKey | AADDTEHKDBQTDE-UHFFFAOYSA-N |
Product Overview
RefChem:72173 (CAS 68214-61-9), with molecular formula C21H18Cl2N4O7 and molecular weight 508.06 g/mol. IUPAC: 5-[(2,5-dichlorophenyl)diazenyl]-6-hydroxy-4-methyl-3-pyridin-1-ium-1-yl-1H-pyridin-2-one;2,4-dihydroxy-4-oxobutanoate.
Chemical Property Profile of RefChem:72173
Property Insights of RefChem:72173
The XLogP value of 1.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:72173. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:72173 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72173 has 4 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:72173?
The CAS number of RefChem:72173 is 68214-61-9.
What is the molecular formula of RefChem:72173?
The molecular formula of RefChem:72173 is C21H18Cl2N4O7.
What is the molecular weight of RefChem:72173?
The molecular weight of RefChem:72173 is 508.06 g/mol.
Where can I buy RefChem:72173?
You can request a quote for RefChem:72173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72173?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.