![3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide structure](/static/products/304/304668-89-1.png)
3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide
TL;DR: 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide (CAS 304668-89-1) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[(E)-4-oxopentan-2-ylideneamino]benzamide
Also Known As: 3-nitro-N-(4-oxopentan-2-ylideneamino)benzamide, N'-(1-methyl-3-oxobutylidene)-3-nitrobenzohydrazide, 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide
| Molecular Formula | C12H13N3O4 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 1.6796 |
| Topological Polar Surface Area | 101.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.0906 |
| Heavy Atoms | 19 |
| Complexity | 551.6604 |
Chemical Identifiers
| CAS Number | 304668-89-1 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/CC(=O)C |
Product Overview
3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide (CAS 304668-89-1), with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol. IUPAC: 3-nitro-N-[(E)-4-oxopentan-2-ylideneamino]benzamide.
Chemical Property Profile of 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide
Property Insights of 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide
The XLogP value of 1.6796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide. The TPSA of 101.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide. Following Lipinski's Rule of Five, 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide has 1 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 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide?
The CAS number of 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide is 304668-89-1.
What is the molecular formula of 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide?
The molecular formula of 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide is C12H13N3O4.
What is the molecular weight of 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide?
The molecular weight of 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide is 263.09 g/mol.
Where can I buy 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide?
You can request a quote for 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N'-[(2E)-4-oxopentan-2-ylidene]benzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.