1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine
TL;DR: 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine (CAS 428830-45-9) is a chemical compound with molecular formula C14H21N3O4S and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-nitrophenyl)methyl]-4-propylsulfonylpiperazine
Also Known As: 1-(4-nitrobenzyl)-4-(propylsulfonyl)piperazine, BAS 03152637, 1-[(4-nitrophenyl)methyl]-4-propylsulfonylpiperazine, 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine, 1-(4-Nitro-benzyl)-4-(propane-1-sulfonyl)-piperazine
| Molecular Formula | C14H21N3O4S |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.12527 |
| Heavy Atoms | 22 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 428830-45-9 |
|---|---|
| SMILES | CCCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | UWWULTFASUQHHK-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine (CAS 428830-45-9), with molecular formula C14H21N3O4S and molecular weight 327.13 g/mol. IUPAC: 1-[(4-nitrophenyl)methyl]-4-propylsulfonylpiperazine.
Chemical Property Profile of 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine
Property Insights of 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)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-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine?
The CAS number of 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine is 428830-45-9.
What is the molecular formula of 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine?
The molecular formula of 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine is C14H21N3O4S.
What is the molecular weight of 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine?
The molecular weight of 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine is 327.13 g/mol.
Where can I buy 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine?
You can request a quote for 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrobenzyl)-4-(1-propanesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.