(E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
TL;DR: (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one (CAS 1005585-63-6) is a chemical compound with molecular formula C11H9BrN2OS and molecular weight 295.9619 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
Also Known As: (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one, 3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one, (2E)-3-(4-bromo-2-thienyl)-1-(1-methyl-1H-pyrazol-4-yl)-2-propen-1-one, (2E)-3-(4-bromothiophen-2-yl)-1-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one, (E)-3-(4-BROMO-2-THIENYL)-1-(1-METHYL-1H-PYRAZOL-4-YL)-2-PROPEN-1-ONE
Technical Specifications
| Molecular Formula | C11H9BrN2OS |
| Molecular Weight | 295.9619 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 63.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.9619 Da |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
| SMILES | CN1C=C(C=N1)C(=O)/C=C/C2=CC(=CS2)Br |
| InChIKey | FEESFXKPXSQVRW-NSCUHMNNSA-N |
Chemical Property Profile of (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
Property Insights of (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The CAS number of (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is 1005585-63-6.
What is the molecular formula of (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The molecular formula of (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is C11H9BrN2OS.
What is the molecular weight of (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The molecular weight of (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is 295.9619 g/mol.
Where can I buy (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
You can request a quote for (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.