RefChem:505122
TL;DR: RefChem:505122 (CAS 68992-01-8) is a chemical compound with molecular formula C22H27N5O5 and molecular weight 441.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethylhexyl)-2-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
Also Known As: 3-Pyridinecarbonitrile, 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-((4-methoxy-2-nitrophenyl)azo)-4-methyl-2-oxo-, 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-5-((4-methoxy-2-nitrophenyl)azo)-4-methyl-2-oxo-3-pyridinecarbonitrile, 1-(2-ETHYLHEXYL)-1,2-DIHYDRO-6-HYDROXY-5-[(4-METHOXY-2-NITROPHENYL)AZO]-4-METHYL-2-OXONICOTINONITRILE, 3-Pyridinecarbonitrile, 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-(2-(4-methoxy-2-nitrophenyl)diazenyl)-4-methyl-2-oxo-, 3-Pyridinecarbonitrile, 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxo-
| Molecular Formula | C22H27N5O5 |
|---|---|
| Molecular Weight | 441.20 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.20123 |
| Heavy Atoms | 32 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 68992-01-8 |
|---|---|
| SMILES | CCCCC(CC)CN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C)C#N)O |
| InChIKey | QKZGYRKRVAXWCB-UHFFFAOYSA-N |
Product Overview
RefChem:505122 (CAS 68992-01-8), with molecular formula C22H27N5O5 and molecular weight 441.20 g/mol. IUPAC: 1-(2-ethylhexyl)-2-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile.
Chemical Property Profile of RefChem:505122
Property Insights of RefChem:505122
The XLogP value of 5.1 indicates that RefChem:505122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:505122 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:505122 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505122?
The CAS number of RefChem:505122 is 68992-01-8.
What is the molecular formula of RefChem:505122?
The molecular formula of RefChem:505122 is C22H27N5O5.
What is the molecular weight of RefChem:505122?
The molecular weight of RefChem:505122 is 441.20 g/mol.
Where can I buy RefChem:505122?
You can request a quote for RefChem:505122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505122?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.