1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine
TL;DR: 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine (CAS 339235-70-0) is a chemical compound with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)sulfonyl-4-phenylpiperazine
Also Known As: 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine, NCIOpen2_009819, KST-1B7165, 1-(3-nitrophenyl)sulfonyl-4-phenylpiperazine, 1-[(3-nitrophenyl)sulfonyl]-4-phenylpiperazine
| Molecular Formula | C16H17N3O4S |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.09396 |
| Heavy Atoms | 24 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 339235-70-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] |
| InChIKey | LWMVTSYZEHUUAM-UHFFFAOYSA-N |
Product Overview
1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine (CAS 339235-70-0), with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol. IUPAC: 1-(3-nitrophenyl)sulfonyl-4-phenylpiperazine.
Chemical Property Profile of 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine
Property Insights of 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine. Following Lipinski's Rule of Five, 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine has 0 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 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine?
The CAS number of 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine is 339235-70-0.
What is the molecular formula of 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine?
The molecular formula of 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine is C16H17N3O4S.
What is the molecular weight of 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine?
The molecular weight of 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine is 347.09 g/mol.
Where can I buy 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine?
You can request a quote for 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.