3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid
TL;DR: 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid (CAS 956182-71-1) is a chemical compound with molecular formula C17H16N4O6 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid
Also Known As: 3-(2-benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid, 3-(N'-Benzoyl-hydrazino)-N-(3-nitro-phenyl)-succinamic acid, 4-[(3-nitrophenyl)amino]-4-oxo-3-[2-(phenylcarbonyl)hydrazinyl]butanoic acid, 3-(2-benzoylhydrazinyl)-3-[(3-nitrophenyl)carbamoyl]propanoic Acid, 3-(2-benzoylhydrazinyl)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid
| Molecular Formula | C17H16N4O6 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 1.3112 |
| Topological Polar Surface Area | 150.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.107 |
| Heavy Atoms | 27 |
| Complexity | 855.51196 |
Chemical Identifiers
| CAS Number | 956182-71-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NNC(CC(=O)O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid (CAS 956182-71-1), with molecular formula C17H16N4O6 and molecular weight 372.11 g/mol. IUPAC: 3-(2-benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid
Property Insights of 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid
The XLogP value of 1.3112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid. The TPSA of 150.67 Ų indicates high polarity, suggesting 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid has 4 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 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid?
The CAS number of 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid is 956182-71-1.
What is the molecular formula of 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid?
The molecular formula of 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid is C17H16N4O6.
What is the molecular weight of 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid?
The molecular weight of 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid is 372.11 g/mol.
Where can I buy 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid?
You can request a quote for 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzoylhydrazinyl)-4-(3-nitroanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.