RefChem:431083
TL;DR: RefChem:431083 (CAS 90729-40-1) is a chemical compound with molecular formula C24H20ClN5O5 and molecular weight 493.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-[[4-(4-chlorobenzoyl)-2-nitrophenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Also Known As: EINECS 292-678-1, 1-Butyl-5-((4-(4-chlorobenzoyl)-2-nitrophenyl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, 1-BUTYL-5-[[4-(4-CHLOROBENZOYL)-2-NITROPHENYL]AZO]-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXONICOTINONITRILE, 3-Pyridinecarbonitrile, 1-butyl-5-((4-(4-chlorobenzoyl)-2-nitrophenyl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, 3-Pyridinecarbonitrile, 1-butyl-5-[[4-(4-chlorobenzoyl)-2-nitrophenyl]azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
| Molecular Formula | C24H20ClN5O5 |
|---|---|
| Molecular Weight | 493.12 g/mol |
| LogP | 5.7421 |
| Topological Polar Surface Area | 150.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.1153 |
| Heavy Atoms | 35 |
| Complexity | 1438.6296 |
Chemical Identifiers
| CAS Number | 90729-40-1 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])C)C#N)O |
Product Overview
RefChem:431083 (CAS 90729-40-1), with molecular formula C24H20ClN5O5 and molecular weight 493.12 g/mol. IUPAC: 1-butyl-5-[[4-(4-chlorobenzoyl)-2-nitrophenyl]diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
Chemical Property Profile of RefChem:431083
Property Insights of RefChem:431083
The XLogP value of 5.7421 indicates that RefChem:431083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.95 Ų indicates high polarity, suggesting RefChem:431083 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:431083 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:431083?
The CAS number of RefChem:431083 is 90729-40-1.
What is the molecular formula of RefChem:431083?
The molecular formula of RefChem:431083 is C24H20ClN5O5.
What is the molecular weight of RefChem:431083?
The molecular weight of RefChem:431083 is 493.12 g/mol.
Where can I buy RefChem:431083?
You can request a quote for RefChem:431083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:431083?
Yes, KEHONG BIO provides custom synthesis services for RefChem:431083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.