![(E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one structure](/static/products/100/1005585-03-4.png)
(E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
TL;DR: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one (CAS 1005585-03-4) is a chemical compound with molecular formula C21H19BrN2O3 and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
Also Known As: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one, 3-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one, (2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one, (E)-3-{3-[(4-BROMOPHENOXY)METHYL]-4-METHOXYPHENYL}-1-(1-METHYL-1H-PYRAZOL-4-YL)-2-PROPEN-1-ONE
| Molecular Formula | C21H19BrN2O3 |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 4.6663 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.05792 |
| Heavy Atoms | 27 |
| Complexity | 961.813 |
Chemical Identifiers
| CAS Number | 1005585-03-4 |
|---|---|
| SMILES | CN1C=C(C=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br |
Product Overview
(E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one (CAS 1005585-03-4), with molecular formula C21H19BrN2O3 and molecular weight 426.06 g/mol. IUPAC: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one.
Chemical Property Profile of (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
Property Insights of (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
The XLogP value of 4.6663 indicates that (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-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 53.35 Ų, (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-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-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one has 0 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 (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The CAS number of (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is 1005585-03-4.
What is the molecular formula of (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The molecular formula of (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is C21H19BrN2O3.
What is the molecular weight of (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The molecular weight of (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is 426.06 g/mol.
Where can I buy (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
You can request a quote for (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-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-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.