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(2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide structure
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(2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide

TL;DR: (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide (CAS 1008905-13-2) is a chemical compound with molecular formula C27H31N5O4S and molecular weight 521.20966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(E)-2-cyano-3-[3-[3-(diethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide

Also Known As: (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide, (E)-2-cyano-3-(3-(3-(N,N-diethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-(3-methoxypropyl)acrylamide, (E)-2-cyano-3-[3-[3-(diethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide, 2-cyano-3-[3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide

CAS Number
1008905-13-2
Molecular Formula
C27H31N5O4S
Molecular Weight
521.20966 g/mol
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Technical Specifications

Molecular FormulaC27H31N5O4S
Molecular Weight521.20966 g/mol
XLogP3.3
Topological Polar Surface Area (TPSA)126.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors7
Rotatable Bonds12
Exact Mass521.20966 Da
Heavy Atoms37
Complexity915.0
SMILESCCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCOC)C3=CC=CC=C3
InChIKeyAPGCYAKHQHNMBD-OQKWZONESA-N

Chemical Property Profile of (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide

XLogP
3.3
TPSA (Topological Polar Surface Area)
126.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
Rotatable Bonds
12
Heavy Atoms
37
Complexity
915.0
Exact Mass
521.20966
Monoisotopic Mass
521.20966
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide

The XLogP value of 3.3 indicates that (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide?

The CAS number of (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide is 1008905-13-2.

What is the molecular formula of (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide?

The molecular formula of (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide is C27H31N5O4S.

What is the molecular weight of (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide?

The molecular weight of (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide is 521.20966 g/mol.

Where can I buy (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide?

You can request a quote for (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide?

Yes, CoreyChem provides custom synthesis services for (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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