RefChem:505114
TL;DR: RefChem:505114 (CAS 75113-55-2) is a chemical compound with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-methyl-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
Also Known As: 1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-5-[(P-TOLYL)AZO]NICOTINONITRILE, 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-((4-methylphenyl)azo)-2-oxo-, 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[(4-methylphenyl)azo]-2-oxo-, 3-Cyano-6-hydroxy-4-methyl-5-(4-methylphenylazo)-2(1H)-pyridone, 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-(2-(4-methylphenyl)diazenyl)-2-oxo-
| Molecular Formula | C14H12N4O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.09604 |
| Heavy Atoms | 20 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 75113-55-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=NC2=C(C(=C(NC2=O)O)C#N)C |
| InChIKey | GQTIFDAKWBGUAT-UHFFFAOYSA-N |
Product Overview
RefChem:505114 (CAS 75113-55-2), with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol. IUPAC: 2-hydroxy-4-methyl-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of RefChem:505114
Property Insights of RefChem:505114
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:505114. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505114. Following Lipinski's Rule of Five, RefChem:505114 has 2 hydrogen bond donor(s) and 5 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:505114?
The CAS number of RefChem:505114 is 75113-55-2.
What is the molecular formula of RefChem:505114?
The molecular formula of RefChem:505114 is C14H12N4O2.
What is the molecular weight of RefChem:505114?
The molecular weight of RefChem:505114 is 268.10 g/mol.
Where can I buy RefChem:505114?
You can request a quote for RefChem:505114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505114?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.