RefChem:505138
TL;DR: RefChem:505138 (CAS 61799-13-1) is a chemical compound with molecular formula C27H28N8O5 and molecular weight 544.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-cyano-4-nitrophenyl)diazenyl]-2-(2-hydroxyethylamino)-4-methyl-6-[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile
Also Known As: 3-Pyridinecarbonitrile, 5-[(2-cyano-4-nitrophenyl)azo]-2-[(2-hydroxyethyl)amino]-4-methyl-6-[[3-(2-phenoxyethoxy)propyl]amino]-, 3-Pyridinecarbonitrile, 5-((2-cyano-4-nitrophenyl)azo)-2-((2-hydroxyethyl)amino)-4-methyl-6-((3-(2-phenoxyethoxy)propyl)amino)-, 3-Pyridinecarbonitrile, 5-(2-(2-cyano-4-nitrophenyl)diazenyl)-2-((2-hydroxyethyl)amino)-4-methyl-6-((3-(2-phenoxyethoxy)propyl)amino)-, 5-[(2-cyano-4-nitrophenyl)diazenyl]-2-(2-hydroxyethylamino)-4-methyl-6-[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile, 5-[(e)-(2-cyano-4-nitrophenyl)diazenyl]-2-[(2-hydroxyethyl)amino]-4-methyl-6-{[3-(2-phenoxyethoxy)propyl]amino}pyridine-3-carbonitrile
| Molecular Formula | C27H28N8O5 |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 544.21826 |
| Heavy Atoms | 40 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 61799-13-1 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NCCCOCCOC3=CC=CC=C3)NCCO)C#N |
| InChIKey | DVEIMOJTBVDUFY-UHFFFAOYSA-N |
Product Overview
RefChem:505138 (CAS 61799-13-1), with molecular formula C27H28N8O5 and molecular weight 544.22 g/mol. IUPAC: 5-[(2-cyano-4-nitrophenyl)diazenyl]-2-(2-hydroxyethylamino)-4-methyl-6-[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile.
Chemical Property Profile of RefChem:505138
Property Insights of RefChem:505138
The XLogP value of 4.6 indicates that RefChem:505138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.0 Ų indicates high polarity, suggesting RefChem:505138 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:505138 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505138?
The CAS number of RefChem:505138 is 61799-13-1.
What is the molecular formula of RefChem:505138?
The molecular formula of RefChem:505138 is C27H28N8O5.
What is the molecular weight of RefChem:505138?
The molecular weight of RefChem:505138 is 544.22 g/mol.
Where can I buy RefChem:505138?
You can request a quote for RefChem:505138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505138?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.