![Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide structure](/static/products/1070/107044-94-0.webp)
Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide
TL;DR: Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide (CAS 107044-94-0) is a chemical compound with molecular formula C20H17N5O5 and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]-N-[(3-nitrophenyl)methylideneamino]acetamide
Also Known As: Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide, 4-(3-Methyl-5-oxo-4-pyrazolidenemethyl)phenoxyacetic acid 3-nitrobenzylidenehydrazide, Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (3-nitrobenzylidene)hydrazide
| Molecular Formula | C20H17N5O5 |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 2.013 |
| Topological Polar Surface Area | 135.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.12296 |
| Heavy Atoms | 30 |
| Complexity | 1073.2498 |
Chemical Identifiers
| CAS Number | 107044-94-0 |
|---|---|
| SMILES | CC1=NNC(=O)C1=CC2=CC=C(C=C2)OCC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide (CAS 107044-94-0), with molecular formula C20H17N5O5 and molecular weight 407.12 g/mol. IUPAC: 2-[4-[(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]-N-[(3-nitrophenyl)methylideneamino]acetamide.
Chemical Property Profile of Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide
Property Insights of Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide
The XLogP value of 2.013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide. The TPSA of 135.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide. Following Lipinski's Rule of Five, Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide has 2 hydrogen bond donor(s) and 7 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 Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide?
The CAS number of Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide is 107044-94-0.
What is the molecular formula of Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide?
The molecular formula of Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide is C20H17N5O5.
What is the molecular weight of Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide?
The molecular weight of Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide is 407.12 g/mol.
Where can I buy Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide?
You can request a quote for Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid,2-[4-[(1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl]phenoxy]-,2-[(3-nitrophenyl)methylene]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.