(E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate
TL;DR: (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate (CAS 956046-72-3) is a chemical compound with molecular formula C21H16N4O4 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl (E)-3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoate
Also Known As: F1683-1803, (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate, phenyl (E)-3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoate, phenyl (2E)-3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enoate, phenyl (E)-3-[1-(2-cyanoethyl)-3-(m-nitrophenyl)-4-pyrazolyl]acrylate
| Molecular Formula | C21H16N4O4 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 3.99078 |
| Topological Polar Surface Area | 111.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.11716 |
| Heavy Atoms | 29 |
| Complexity | 1097.3689 |
Chemical Identifiers
| CAS Number | 956046-72-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)/C=C/C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N |
Product Overview
(E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate (CAS 956046-72-3), with molecular formula C21H16N4O4 and molecular weight 388.12 g/mol. IUPAC: phenyl (E)-3-[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]prop-2-enoate.
Chemical Property Profile of (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate
Property Insights of (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate
The XLogP value of 3.99078 indicates that (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate. Following Lipinski's Rule of Five, (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate has 0 hydrogen bond donor(s) and 6 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)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate?
The CAS number of (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate is 956046-72-3.
What is the molecular formula of (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate?
The molecular formula of (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate is C21H16N4O4.
What is the molecular weight of (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate?
The molecular weight of (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate is 388.12 g/mol.
Where can I buy (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate?
You can request a quote for (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-phenyl 3-(1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.