6-Nitro-2-piperazin-1-yl-1,3-benzothiazole
TL;DR: 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole (CAS 330956-99-5) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-piperazin-1-yl-1,3-benzothiazole
Also Known As: 6-nitro-2-piperazin-1-yl-1,3-benzothiazole, 6-Nitro-2-piperazin-1-yl-benzothiazole, 6-nitro-2-piperazinylbenzothiazole, 6-nitro-2-(piperazin-1-yl)-1,3-benzothiazole, BAS 01847754
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 330956-99-5 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | RBZWYLUVTPLLOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-2-piperazin-1-yl-1,3-benzothiazole (CAS 330956-99-5), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: 6-nitro-2-piperazin-1-yl-1,3-benzothiazole.
Chemical Property Profile of 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole
Property Insights of 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole. Following Lipinski's Rule of Five, 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole has 1 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 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole?
The CAS number of 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole is 330956-99-5.
What is the molecular formula of 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole?
The molecular formula of 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole is C11H12N4O2S.
What is the molecular weight of 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole?
The molecular weight of 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole is 264.07 g/mol.
Where can I buy 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole?
You can request a quote for 6-Nitro-2-piperazin-1-yl-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 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.