2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
TL;DR: 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CAS 420835-62-7) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Also Known As: BAS 02993988, 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, N-(6-nitrobenzothiazol-2-yl)-2-[4-benzylpiperazinyl]acetamide, 2-(4-Benzyl-piperazin-1-yl)-N-(6-nitro-benzothiazol-2-yl)-acetamide, 2-(4-benzylpiperazin-1-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acetamide
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 2.9608 |
| Topological Polar Surface Area | 91.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1015.38837 |
Chemical Identifiers
| CAS Number | 420835-62-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CAS 420835-62-7), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Property Insights of 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
The XLogP value of 2.9608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide. The TPSA of 91.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 7 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-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The CAS number of 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is 420835-62-7.
What is the molecular formula of 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The molecular formula of 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is C20H21N5O3S.
What is the molecular weight of 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
The molecular weight of 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide is 411.14 g/mol.
Where can I buy 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
You can request a quote for 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-benzylpiperazin-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.