![(2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide structure](/static/products/955/955866-34-9.png)
(2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide
TL;DR: (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide (CAS 955866-34-9) is a chemical compound with molecular formula C21H22N6O3S and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea
Also Known As: (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide, (E)-2-(3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)-N-phenylhydrazinecarbothioamide, [((1E)-2-{3-[(3,5-dimethyl-4-nitropyrazolyl)methyl]-4-methoxyphenyl}-1-azaviny l)amino](phenylamino)methane-1-thione, 1-[(E)-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea, 2-((E)-1-{3-[(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]-4-METHOXYPHENYL}METHYLIDENE)-N-PHENYL-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C21H22N6O3S |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 3.78554 |
| Topological Polar Surface Area | 106.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.1474 |
| Heavy Atoms | 31 |
| Complexity | 1127.6438 |
Chemical Identifiers
| CAS Number | 955866-34-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=N/NC(=S)NC3=CC=CC=C3)OC)C)[N+](=O)[O-] |
Product Overview
(2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide (CAS 955866-34-9), with molecular formula C21H22N6O3S and molecular weight 438.15 g/mol. IUPAC: 1-[(E)-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea.
Chemical Property Profile of (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide
Property Insights of (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide
The XLogP value of 3.78554 indicates that (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide has 2 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 (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
The CAS number of (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is 955866-34-9.
What is the molecular formula of (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
The molecular formula of (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is C21H22N6O3S.
What is the molecular weight of (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
The molecular weight of (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide is 438.15 g/mol.
Where can I buy (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
You can request a quote for (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-phenylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.