![(2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide structure](/static/products/955/955866-22-5.png)
(2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
TL;DR: (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide (CAS 955866-22-5) is a chemical compound with molecular formula C18H22BrN5OS and molecular weight 435.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
Also Known As: (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide, (E)-N-allyl-2-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxybenzylidene)hydrazinecarbothioamide, [((1E)-2-{3-[(4-bromo-3,5-dimethylpyrazolyl)methyl]-4-methoxyphenyl}-1-azaviny l)amino](prop-2-enylamino)methane-1-thione, 1-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
| Molecular Formula | C18H22BrN5OS |
|---|---|
| Molecular Weight | 435.07 g/mol |
| LogP | 3.30334 |
| Topological Polar Surface Area | 63.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.07285 |
| Heavy Atoms | 26 |
| Complexity | 831.2292 |
Chemical Identifiers
| CAS Number | 955866-22-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=N/NC(=S)NCC=C)OC)C)Br |
Product Overview
(2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide (CAS 955866-22-5), with molecular formula C18H22BrN5OS and molecular weight 435.07 g/mol. IUPAC: 1-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea.
Chemical Property Profile of (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
Property Insights of (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide
The XLogP value of 3.30334 indicates that (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide has 2 hydrogen bond donor(s) and 4 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-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
The CAS number of (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is 955866-22-5.
What is the molecular formula of (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
The molecular formula of (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is C18H22BrN5OS.
What is the molecular weight of (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
The molecular weight of (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide is 435.07 g/mol.
Where can I buy (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
You can request a quote for (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide 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-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-N-(prop-2-en-1-yl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.