![2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole structure](/static/products/4780/478076-98-1.webp)
2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole
TL;DR: 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole (CAS 478076-98-1) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
Also Known As: Bionet1_003761, 2-[4-(4-nitrobenzyl)piperazino]-1,3-benzothiazole, 2-{4-[(4-nitrophenyl)methyl]piperazin-1-yl}-1,3-benzothiazole, 2-(4-(4-Nitrobenzyl)piperazino)-1,3-benzothiazole, 2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.5267 |
| Topological Polar Surface Area | 62.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 852.48724 |
Chemical Identifiers
| CAS Number | 478076-98-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3 |
Product Overview
2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole (CAS 478076-98-1), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-1,3-benzothiazole.
Chemical Property Profile of 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole
Property Insights of 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole
The XLogP value of 3.5267 indicates that 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole 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 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole?
The CAS number of 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole is 478076-98-1.
What is the molecular formula of 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole?
The molecular formula of 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole is C18H18N4O2S.
What is the molecular weight of 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole?
The molecular weight of 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole is 354.12 g/mol.
Where can I buy 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole?
You can request a quote for 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Nitrobenzyl)piperazino]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.