RefChem:72171
TL;DR: RefChem:72171 (CAS 68214-59-5) is a chemical compound with molecular formula C21H20N4O7 and molecular weight 440.1332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dihydroxy-4-oxobutanoate;6-hydroxy-4-methyl-5-phenyldiazenyl-3-pyridin-1-ium-1-yl-1H-pyridin-2-one
Also Known As: 1',2'-Dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-1,3'-bipyridinium malate, 1,3'-Bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-, malate, 1,3'-Bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(2-phenyldiazenyl)-, 2-hydroxybutanedioate (1:1), 1,3'-Bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-, salt with hydroxybutanedioic acid (1:1), EINECS 269-301-4
Technical Specifications
| Molecular Formula | C21H20N4O7 |
| Molecular Weight | 440.1332 g/mol |
| XLogP | 0.65 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1332 Da |
| Heavy Atoms | 32 |
| Complexity | 676.0 |
| SMILES | CC1=C(C(=O)NC(=C1N=NC2=CC=CC=C2)O)[N+]3=CC=CC=C3.C(C(C(=O)[O-])O)C(=O)O |
| InChIKey | SRVTVXCADDRHGS-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:72171
Property Insights of RefChem:72171
The XLogP value of 0.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:72171. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:72171 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72171 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:72171?
The CAS number of RefChem:72171 is 68214-59-5.
What is the molecular formula of RefChem:72171?
The molecular formula of RefChem:72171 is C21H20N4O7.
What is the molecular weight of RefChem:72171?
The molecular weight of RefChem:72171 is 440.1332 g/mol.
Where can I buy RefChem:72171?
You can request a quote for RefChem:72171 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:72171?
Yes, CoreyChem provides custom synthesis services for RefChem:72171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.