![4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid structure](/static/products/744/744230-71-5.png)
4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid
TL;DR: 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid (CAS 744230-71-5) is a chemical compound with molecular formula C14H15N3O7S and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid
Also Known As: 4-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid, (E)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid, (2E)-4-{4-[(3-nitrophenyl)sulfonyl]piperazin-1-yl}-4-oxobut-2-enoic acid, 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxo-but-2-enoic Acid, 4-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoicacid
| Molecular Formula | C14H15N3O7S |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 0.0685 |
| Topological Polar Surface Area | 138.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.06308 |
| Heavy Atoms | 25 |
| Complexity | 826.58203 |
Chemical Identifiers
| CAS Number | 744230-71-5 |
|---|---|
| SMILES | C1CN(CCN1C(=O)/C=C/C(=O)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid (CAS 744230-71-5), with molecular formula C14H15N3O7S and molecular weight 369.06 g/mol. IUPAC: (E)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid
Property Insights of 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid
The XLogP value of 0.0685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid. The TPSA of 138.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
The CAS number of 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid is 744230-71-5.
What is the molecular formula of 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
The molecular formula of 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid is C14H15N3O7S.
What is the molecular weight of 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
The molecular weight of 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid is 369.06 g/mol.
Where can I buy 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
You can request a quote for 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(3-Nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.