![(2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile structure](/static/products/1009/1009441-37-5.webp)
(2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
TL;DR: (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile (CAS 1009441-37-5) is a chemical compound with molecular formula C29H31N5O4S and molecular weight 545.21 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-(morpholine-4-carbonyl)prop-2-enenitrile
Also Known As: (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile, (E)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile, 3-(3-(3-(Azepan-1-ylsulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-(morpholine-4-carbonyl)acrylonitrile
| Molecular Formula | C29H31N5O4S |
|---|---|
| Molecular Weight | 545.21 g/mol |
| LogP | 3.86978 |
| Topological Polar Surface Area | 108.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.20966 |
| Heavy Atoms | 39 |
| Complexity | 1493.8701 |
Chemical Identifiers
| CAS Number | 1009441-37-5 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(\C#N)/C(=O)N4CCOCC4)C5=CC=CC=C5 |
Product Overview
(2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile (CAS 1009441-37-5), with molecular formula C29H31N5O4S and molecular weight 545.21 g/mol. IUPAC: (E)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Property Insights of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
The XLogP value of 3.86978 indicates that (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.53 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-(morpholin-4-ylcarbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile has 0 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)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
The CAS number of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is 1009441-37-5.
What is the molecular formula of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
The molecular formula of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is C29H31N5O4S.
What is the molecular weight of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
The molecular weight of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile is 545.21 g/mol.
Where can I buy (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
You can request a quote for (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile 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-(morpholin-4-ylcarbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.