![5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide structure](/static/products/5242/5242-94-4.webp)
5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide
TL;DR: 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide (CAS 5242-94-4) is a chemical compound with molecular formula C13H14N6O3S and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-3-methyl-4-[(4-nitrophenyl)diazenyl]pyrazole-1-carbothioamide
Also Known As: 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide, 5-ethoxy-3-methyl-4-[(4-nitrophenyl)diazenyl]pyrazole-1-carbothioamide
| Molecular Formula | C13H14N6O3S |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 3.00552 |
| Topological Polar Surface Area | 120.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.0848 |
| Heavy Atoms | 23 |
| Complexity | 768.7622 |
Chemical Identifiers
| CAS Number | 5242-94-4 |
|---|---|
| SMILES | CCOC1=C(C(=NN1C(=S)N)C)N=NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide (CAS 5242-94-4), with molecular formula C13H14N6O3S and molecular weight 334.08 g/mol. IUPAC: 5-ethoxy-3-methyl-4-[(4-nitrophenyl)diazenyl]pyrazole-1-carbothioamide.
Chemical Property Profile of 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide
Property Insights of 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide
The XLogP value of 3.00552 indicates that 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide has 1 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 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide?
The CAS number of 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide is 5242-94-4.
What is the molecular formula of 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide?
The molecular formula of 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide is C13H14N6O3S.
What is the molecular weight of 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide?
The molecular weight of 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide is 334.08 g/mol.
Where can I buy 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide?
You can request a quote for 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethoxy-3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.