N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide
TL;DR: N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide (CAS 492440-91-2) is a chemical compound with molecular formula C12H9ClN4O4 and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
Also Known As: N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide, N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide, N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]-5-methyl-1,2-oxazole-3-carbohydrazide, N-[(1E)-2-(4-chloro-3-nitrophenyl)-1-azavinyl](5-methylisoxazol-3-yl)carboxami de
| Molecular Formula | C12H9ClN4O4 |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 2.30852 |
| Topological Polar Surface Area | 110.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.03122 |
| Heavy Atoms | 21 |
| Complexity | 725.79755 |
Chemical Identifiers
| CAS Number | 492440-91-2 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)N/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide (CAS 492440-91-2), with molecular formula C12H9ClN4O4 and molecular weight 308.03 g/mol. IUPAC: N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide.
Chemical Property Profile of N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide
Property Insights of N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide
The XLogP value of 2.30852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide. The TPSA of 110.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide. Following Lipinski's Rule of Five, N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide has 1 hydrogen bond donor(s) and 6 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 N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide?
The CAS number of N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide is 492440-91-2.
What is the molecular formula of N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide?
The molecular formula of N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide is C12H9ClN4O4.
What is the molecular weight of N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide?
The molecular weight of N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide is 308.03 g/mol.
Where can I buy N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide?
You can request a quote for N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-{4-chloro-3-nitrobenzylidene}-5-methyl-3-isoxazolecarbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.