(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 295.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C11H9BrN2OS |
|---|---|
| Molecular Weight | 295.96 g/mol |
| LogP | 3.1402 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.9619 |
| Heavy Atoms | 16 |
| Complexity | 541.6819 |
Chemical Identifiers
| CAS Number | 1005585-63-6 |
|---|---|
| SMILES | CN1C=C(C=N1)C(=O)/C=C/C2=CC(=CS2)Br |
Product Overview
(E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one (CAS 1005585-63-6), with molecular formula C11H9BrN2OS and molecular weight 295.96 g/mol. IUPAC: (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one.
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 3.1402 indicates that (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 295.96 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
Yes, KEHONG BIO 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.