![(E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one structure](/static/products/100/1005698-39-4.png)
(E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
TL;DR: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one (CAS 1005698-39-4) is a chemical compound with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
Also Known As: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one, 3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one, (2E)-3-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]-1-(1-methyl-1H-pyrazol-4-yl)-2-propen-1-one, (2E)-3-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]-1-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one, (E)-3-[4-METHOXY-3-(1H-PYRAZOL-1-YLMETHYL)PHENYL]-1-(1-METHYL-1H-PYRAZOL-4-YL)-2-PROPEN-1-ONE
| Molecular Formula | C18H18N4O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 2.5696 |
| Topological Polar Surface Area | 61.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.14297 |
| Heavy Atoms | 24 |
| Complexity | 863.03845 |
Chemical Identifiers
| CAS Number | 1005698-39-4 |
|---|---|
| SMILES | CN1C=C(C=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CN3C=CC=N3 |
Product Overview
(E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one (CAS 1005698-39-4), with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol. IUPAC: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one.
Chemical Property Profile of (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
Property Insights of (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
The XLogP value of 2.5696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one. The TPSA of 61.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-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-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The CAS number of (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is 1005698-39-4.
What is the molecular formula of (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The molecular formula of (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is C18H18N4O2.
What is the molecular weight of (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
The molecular weight of (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is 322.14 g/mol.
Where can I buy (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
You can request a quote for (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-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-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.