N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide
TL;DR: N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide (CAS 78503-91-0) is a chemical compound with molecular formula C18H16N6O5S and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide
Also Known As: N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide, N-[4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-y, N-[4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide, N-({4-[(E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]phenyl}sulfonyl)acetamide, N-[4-[(E)-[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]azo]phenyl]sulfonylacetamide
| Molecular Formula | C18H16N6O5S |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0903 |
| Heavy Atoms | 30 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 78503-91-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C)C(=O)C3=CC=NC=C3 |
| InChIKey | GTFYXSJCBAJBAZ-UHFFFAOYSA-N |
Product Overview
N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide (CAS 78503-91-0), with molecular formula C18H16N6O5S and molecular weight 428.09 g/mol. IUPAC: N-[4-[[3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide.
Chemical Property Profile of N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide
Property Insights of N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide. The TPSA of 159.0 Ų indicates high polarity, suggesting N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide has 1 hydrogen bond donor(s) and 9 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-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide?
The CAS number of N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide is 78503-91-0.
What is the molecular formula of N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide?
The molecular formula of N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide is C18H16N6O5S.
What is the molecular weight of N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide?
The molecular weight of N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide is 428.09 g/mol.
Where can I buy N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide?
You can request a quote for N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-((E)-(1-Isonicotinoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenyl)sulfonyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.