RefChem:72172
TL;DR: RefChem:72172 (CAS 68922-24-7) is a chemical compound with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-4-methyl-5-phenyldiazenyl-3-pyridin-1-ium-1-yl-1H-pyridin-2-one acetate
Also Known As: 1,3'-Bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(2-phenyldiazenyl)-, acetate (1:1), 1,3'-Bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-, acetate, 1,3'-Bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-, acetate (salt), 1-(1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-5-(phenylazo)-3-pyridinyl)pyridinium acetate, 1',2'-Dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-1,3'-bipyridinium acetate
| Molecular Formula | C19H18N4O4 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 1.84 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.1328 |
| Heavy Atoms | 27 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 68922-24-7 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=C1N=NC2=CC=CC=C2)O)[N+]3=CC=CC=C3.CC(=O)[O-] |
| InChIKey | XCQCDFDGPCWAKJ-UHFFFAOYSA-N |
Product Overview
RefChem:72172 (CAS 68922-24-7), with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol. IUPAC: 6-hydroxy-4-methyl-5-phenyldiazenyl-3-pyridin-1-ium-1-yl-1H-pyridin-2-one acetate.
Chemical Property Profile of RefChem:72172
Property Insights of RefChem:72172
The XLogP value of 1.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:72172. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:72172. Following Lipinski's Rule of Five, RefChem:72172 has 2 hydrogen bond donor(s) and 6 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 RefChem:72172?
The CAS number of RefChem:72172 is 68922-24-7.
What is the molecular formula of RefChem:72172?
The molecular formula of RefChem:72172 is C19H18N4O4.
What is the molecular weight of RefChem:72172?
The molecular weight of RefChem:72172 is 366.13 g/mol.
Where can I buy RefChem:72172?
You can request a quote for RefChem:72172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.