![ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate structure](/static/products/314/314765-14-5.png)
ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate
TL;DR: ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate (CAS 314765-14-5) is a chemical compound with molecular formula C16H21N3O5 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-2-[(E)-C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]butanoate
Also Known As: ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate, ethyl 3-methyl-2-[(1E)-1-{2-[(3-nitrophenyl)carbonyl]hydrazinylidene}ethyl]butanoate
| Molecular Formula | C16H21N3O5 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 2.5358 |
| Topological Polar Surface Area | 110.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.14813 |
| Heavy Atoms | 24 |
| Complexity | 654.8679 |
Chemical Identifiers
| CAS Number | 314765-14-5 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)/C(=N/NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C |
Product Overview
ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate (CAS 314765-14-5), with molecular formula C16H21N3O5 and molecular weight 335.15 g/mol. IUPAC: ethyl 3-methyl-2-[(E)-C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]butanoate.
Chemical Property Profile of ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate
Property Insights of ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate
The XLogP value of 2.5358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate. The TPSA of 110.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate. Following Lipinski's Rule of Five, ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate 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 ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate?
The CAS number of ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate is 314765-14-5.
What is the molecular formula of ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate?
The molecular formula of ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate is C16H21N3O5.
What is the molecular weight of ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate?
The molecular weight of ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate is 335.15 g/mol.
Where can I buy ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate?
You can request a quote for ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-isopropyl-3-[(3-nitrobenzoyl)hydrazono]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.