![(2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide structure](/static/products/100/1003988-48-4.png)
(2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide
TL;DR: (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide (CAS 1003988-48-4) is a chemical compound with molecular formula C26H27N5O3S and molecular weight 489.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-methylprop-2-enamide
Also Known As: (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide, (E)-3-(3-(3-(azepan-1-ylsulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N-methylacrylamide, (E)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-methylprop-2-enamide
| Molecular Formula | C26H27N5O3S |
|---|---|
| Molecular Weight | 489.18 g/mol |
| LogP | 3.75698 |
| Topological Polar Surface Area | 108.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.18347 |
| Heavy Atoms | 35 |
| Complexity | 1379.8405 |
Chemical Identifiers
| CAS Number | 1003988-48-4 |
|---|---|
| SMILES | CNC(=O)/C(=C/C1=CN(N=C1C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4)/C#N |
Product Overview
(2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide (CAS 1003988-48-4), with molecular formula C26H27N5O3S and molecular weight 489.18 g/mol. IUPAC: (E)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-methylprop-2-enamide.
Chemical Property Profile of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide
Property Insights of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide
The XLogP value of 3.75698 indicates that (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide has 1 hydrogen bond donor(s) and 5 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 (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide?
The CAS number of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide is 1003988-48-4.
What is the molecular formula of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide?
The molecular formula of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide is C26H27N5O3S.
What is the molecular weight of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide?
The molecular weight of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide is 489.18 g/mol.
Where can I buy (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide?
You can request a quote for (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-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)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-methylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.