(E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide
TL;DR: (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide (CAS 313273-33-5) is a chemical compound with molecular formula C23H19BrN4O2 and molecular weight 462.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-prop-2-enylprop-2-enamide
Also Known As: (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide, (2E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide, (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-prop-2-enylprop-2-enamide, 3-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide
| Molecular Formula | C23H19BrN4O2 |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 4.51958 |
| Topological Polar Surface Area | 79.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.06915 |
| Heavy Atoms | 30 |
| Complexity | 1143.755 |
Chemical Identifiers
| CAS Number | 313273-33-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC=C)C3=CC=CC=C3)Br |
Product Overview
(E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide (CAS 313273-33-5), with molecular formula C23H19BrN4O2 and molecular weight 462.07 g/mol. IUPAC: (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-prop-2-enylprop-2-enamide.
Chemical Property Profile of (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide
Property Insights of (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide
The XLogP value of 4.51958 indicates that (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide. Following Lipinski's Rule of Five, (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide has 1 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)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide?
The CAS number of (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide is 313273-33-5.
What is the molecular formula of (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide?
The molecular formula of (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide is C23H19BrN4O2.
What is the molecular weight of (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide?
The molecular weight of (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide is 462.07 g/mol.
Where can I buy (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide?
You can request a quote for (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-allyl-3-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyanoacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.