![(2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one structure](/static/products/324/324779-86-4.png)
(2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one
TL;DR: (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one (CAS 324779-86-4) is a chemical compound with molecular formula C25H26N4O5S2 and molecular weight 526.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one
Also Known As: (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one, (E)-3-(4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl)-1-(3-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-4-yl)prop-2-en-1-one, (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one
| Molecular Formula | C25H26N4O5S2 |
|---|---|
| Molecular Weight | 526.13 g/mol |
| LogP | 3.7899 |
| Topological Polar Surface Area | 111.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.13446 |
| Heavy Atoms | 36 |
| Complexity | 1364.0963 |
Chemical Identifiers
| CAS Number | 324779-86-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)N2C=NN=C2SCC(=O)C3=CC=CC=C3)S(=O)(=O)N4CCCCC4 |
Product Overview
(2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one (CAS 324779-86-4), with molecular formula C25H26N4O5S2 and molecular weight 526.13 g/mol. IUPAC: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(3-phenacylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one.
Chemical Property Profile of (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one
Property Insights of (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one
The XLogP value of 3.7899 indicates that (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one has 0 hydrogen bond donor(s) and 8 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-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one?
The CAS number of (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one is 324779-86-4.
What is the molecular formula of (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one?
The molecular formula of (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one is C25H26N4O5S2.
What is the molecular weight of (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one?
The molecular weight of (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one is 526.13 g/mol.
Where can I buy (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one?
You can request a quote for (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.