(E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate
TL;DR: (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate (CAS 1009782-48-2) is a chemical compound with molecular formula C27H28N4O5S and molecular weight 520.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[3-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoate
Also Known As: (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate, ethyl (2E)-2-cyano-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enoate, ethyl (E)-2-cyano-3-[3-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoate
| Molecular Formula | C27H28N4O5S |
|---|---|
| Molecular Weight | 520.18 g/mol |
| LogP | 3.80728 |
| Topological Polar Surface Area | 114.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.17804 |
| Heavy Atoms | 37 |
| Complexity | 1447.4021 |
Chemical Identifiers
| CAS Number | 1009782-48-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CN(N=C1C2=CC(=CC=C2)S(=O)(=O)N3CC(OC(C3)C)C)C4=CC=CC=C4)/C#N |
Product Overview
(E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate (CAS 1009782-48-2), with molecular formula C27H28N4O5S and molecular weight 520.18 g/mol. IUPAC: ethyl (E)-2-cyano-3-[3-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-1-phenylpyrazol-4-yl]prop-2-enoate.
Chemical Property Profile of (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate
Property Insights of (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate
The XLogP value of 3.80728 indicates that (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate. Following Lipinski's Rule of Five, (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate?
The CAS number of (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate is 1009782-48-2.
What is the molecular formula of (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate?
The molecular formula of (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate is C27H28N4O5S.
What is the molecular weight of (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate?
The molecular weight of (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate is 520.18 g/mol.
Where can I buy (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate?
You can request a quote for (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-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)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-cyano-3-(3-(3-((2,6-dimethylmorpholino)sulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.