1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine
TL;DR: 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine (CAS 519006-12-3) is a chemical compound with molecular formula C13H19N3O4S and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)sulfonyl-4-propan-2-ylpiperazine
Also Known As: 1-(4-nitrophenyl)sulfonyl-4-propan-2-ylpiperazine, 1-Isopropyl-4-(4-nitrophenyl)sulfonyl-piperazine, BAS 03153120, 1-Isopropyl-4-((4-nitrophenyl)sulfonyl)piperazine, 1-(4-nitrobenzenesulfonyl)-4-(propan-2-yl)piperazine
| Molecular Formula | C13H19N3O4S |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.10962 |
| Heavy Atoms | 21 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 519006-12-3 |
|---|---|
| SMILES | CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NENONYOEPNGZKL-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine (CAS 519006-12-3), with molecular formula C13H19N3O4S and molecular weight 313.11 g/mol. IUPAC: 1-(4-nitrophenyl)sulfonyl-4-propan-2-ylpiperazine.
Chemical Property Profile of 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine
Property Insights of 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine 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-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine?
The CAS number of 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine is 519006-12-3.
What is the molecular formula of 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine?
The molecular formula of 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine is C13H19N3O4S.
What is the molecular weight of 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine?
The molecular weight of 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine is 313.11 g/mol.
Where can I buy 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine?
You can request a quote for 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)sulfonyl-4-propan-2-ylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.