RefChem:505113
TL;DR: RefChem:505113 (CAS 42939-86-6) is a chemical compound with molecular formula C14H11N5O4 and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
Also Known As: 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)azo]-2-oxo-, 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-((2-methyl-4-nitrophenyl)azo)-2-oxo-, 1,2-dihydro-6-hydroxy-4-methyl-5-[ azo]-2-oxonicotinonitrile, 1,2-Dihydro-6-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)azo]-2-oxonicotinonitrile, 3-Cyano-6-hydroxy-4-methyl-5-(2-methyl-4-nitrophenylazo)-2(1H)-pyridone
| Molecular Formula | C14H11N5O4 |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.08112 |
| Heavy Atoms | 23 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 42939-86-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=C(C(=C(NC2=O)O)C#N)C |
| InChIKey | NSFAEYWEEUWUQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:505113 (CAS 42939-86-6), with molecular formula C14H11N5O4 and molecular weight 313.08 g/mol. IUPAC: 2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of RefChem:505113
Property Insights of RefChem:505113
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:505113. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:505113 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:505113 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 RefChem:505113?
The CAS number of RefChem:505113 is 42939-86-6.
What is the molecular formula of RefChem:505113?
The molecular formula of RefChem:505113 is C14H11N5O4.
What is the molecular weight of RefChem:505113?
The molecular weight of RefChem:505113 is 313.08 g/mol.
Where can I buy RefChem:505113?
You can request a quote for RefChem:505113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.