![(2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide structure](/static/products/100/1009191-35-8.png)
(2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide
TL;DR: (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide (CAS 1009191-35-8) is a chemical compound with molecular formula C29H33N5O4S and molecular weight 547.23 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-(3-methoxypropyl)prop-2-enamide
Also Known As: (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide, (E)-3-(3-(3-(azepan-1-ylsulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(3-methoxypropyl)acrylamide, (E)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
| Molecular Formula | C29H33N5O4S |
|---|---|
| Molecular Weight | 547.23 g/mol |
| LogP | 4.16368 |
| Topological Polar Surface Area | 117.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 547.22534 |
| Heavy Atoms | 39 |
| Complexity | 1450.2836 |
Chemical Identifiers
| CAS Number | 1009191-35-8 |
|---|---|
| SMILES | COCCCNC(=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-(3-methoxypropyl)prop-2-enamide (CAS 1009191-35-8), with molecular formula C29H33N5O4S and molecular weight 547.23 g/mol. IUPAC: (E)-3-[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide.
Chemical Property Profile of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Property Insights of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide
The XLogP value of 4.16368 indicates that (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.32 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-(3-methoxypropyl)prop-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-(3-methoxypropyl)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)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide?
The CAS number of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide is 1009191-35-8.
What is the molecular formula of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide?
The molecular formula of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide is C29H33N5O4S.
What is the molecular weight of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide?
The molecular weight of (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide is 547.23 g/mol.
Where can I buy (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-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-(3-methoxypropyl)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)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-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-(3-methoxypropyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.