![(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide structure](/static/products/956/956234-65-4.png)
(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
TL;DR: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide (CAS 956234-65-4) is a chemical compound with molecular formula C28H30N4O4S and molecular weight 518.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enamide
Also Known As: (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide, (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(3-(4-isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylamide, (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enamide
| Molecular Formula | C28H30N4O4S |
|---|---|
| Molecular Weight | 518.20 g/mol |
| LogP | 4.0928 |
| Topological Polar Surface Area | 114.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.1988 |
| Heavy Atoms | 37 |
| Complexity | 1467.5361 |
Chemical Identifiers
| CAS Number | 956234-65-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(C)C)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4 |
Product Overview
(2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide (CAS 956234-65-4), with molecular formula C28H30N4O4S and molecular weight 518.20 g/mol. IUPAC: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enamide.
Chemical Property Profile of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Property Insights of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
The XLogP value of 4.0928 indicates that (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide?
The CAS number of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide is 956234-65-4.
What is the molecular formula of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide?
The molecular formula of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide is C28H30N4O4S.
What is the molecular weight of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide?
The molecular weight of (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide is 518.20 g/mol.
Where can I buy (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide?
You can request a quote for (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.