4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE
TL;DR: 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE (CAS 1023535-40-1) is a chemical compound with molecular formula C21H21BrN4O2S and molecular weight 472.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]phenyl]-3-prop-2-enylthiourea
Also Known As: 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE, 1-[4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]phenyl]-3-prop-2-enylthiourea, 1-allyl-3-[4-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methoxy]phenyl]thiourea, 1-[4-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methoxy]phenyl]-3-prop-2-enyl-thiourea, 1-{4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]phenyl}-3-(prop-2-en-1-yl)thiourea
Technical Specifications
| Molecular Formula | C21H21BrN4O2S |
| Molecular Weight | 472.05685 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.05685 Da |
| Heavy Atoms | 29 |
| Complexity | 643.0 |
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=C(C=C3)NC(=S)NCC=C |
| InChIKey | CSMUYIAXKXFLOH-UHFFFAOYSA-N |
Chemical Property Profile of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE
Property Insights of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE
The XLogP value of 4.2 indicates that 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE. Following Lipinski's Rule of Five, 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE 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
What is the CAS number of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
The CAS number of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is 1023535-40-1.
What is the molecular formula of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
The molecular formula of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is C21H21BrN4O2S.
What is the molecular weight of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
The molecular weight of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is 472.05685 g/mol.
Where can I buy 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
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Does CoreyChem offer custom synthesis for 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
Yes, CoreyChem provides custom synthesis services for 4-BROMO-2-METHYL-1-PHENYL-3-((4-(((PROP-2-ENYLAMINO)THIOXOMETHYL)AMINO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.