1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine
TL;DR: 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine (CAS 332899-03-3) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
Also Known As: BAS 01375876, 1-(4-nitrobenzyl)-4-(2-thienylcarbonyl)piperazine, AA-504/07993042, [4-(4-nitrobenzyl)piperazin-1-yl](thiophen-2-yl)methanone, 4-[(4-nitrophenyl)methyl]piperazinyl 2-thienyl ketone
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 332899-03-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CS3 |
| InChIKey | XFAZTBNRJSOIAC-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine (CAS 332899-03-3), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: [4-[(4-nitrophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine
Property Insights of 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine. Following Lipinski's Rule of Five, 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine has 0 hydrogen bond donor(s) and 5 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-(2-thienylcarbonyl)piperazine?
The CAS number of 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine is 332899-03-3.
What is the molecular formula of 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine?
The molecular formula of 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine is C16H17N3O3S.
What is the molecular weight of 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine?
The molecular weight of 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine is 331.10 g/mol.
Where can I buy 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine?
You can request a quote for 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)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-(2-thienylcarbonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrobenzyl)-4-(2-thienylcarbonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.