![N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide structure](/static/products/955/955857-68-8.png)
N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide
TL;DR: N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide (CAS 955857-68-8) is a chemical compound with molecular formula C30H28N4O4S and molecular weight 540.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-[(1,1-dioxothiolan-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]benzamide
Also Known As: N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide, (2Z)-N-(1,1-dioxothiolan-3-yl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2-( phenylcarbonylamino)prop-2-enamide, (Z)-N-(3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxo-1-(1-phenyl-3-(p-tolyl)-1H-pyrazol-4-yl)prop-1-en-2-yl)benzamide, N-[(Z)-3-[(1,1-dioxothiolan-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]benzamide
| Molecular Formula | C30H28N4O4S |
|---|---|
| Molecular Weight | 540.18 g/mol |
| LogP | 3.92192 |
| Topological Polar Surface Area | 110.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.1831 |
| Heavy Atoms | 39 |
| Complexity | 1627.4908 |
Chemical Identifiers
| CAS Number | 955857-68-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C(=O)NC3CCS(=O)(=O)C3)\NC(=O)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide (CAS 955857-68-8), with molecular formula C30H28N4O4S and molecular weight 540.18 g/mol. IUPAC: N-[(Z)-3-[(1,1-dioxothiolan-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide
Property Insights of N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide
The XLogP value of 3.92192 indicates that N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide. Following Lipinski's Rule of Five, N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide?
The CAS number of N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide is 955857-68-8.
What is the molecular formula of N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide?
The molecular formula of N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide is C30H28N4O4S.
What is the molecular weight of N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide?
The molecular weight of N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide is 540.18 g/mol.
Where can I buy N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide?
You can request a quote for N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-1-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.