![N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide structure](/static/products/4894/489409-00-9.webp)
N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide
TL;DR: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide (CAS 489409-00-9) is a chemical compound with molecular formula C18H12N6O5S and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide
Also Known As: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide, N-{6-nitro-1,3-benzothiazol-2-yl}-4-({3-nitro-1H-pyrazol-1-yl}methyl)benzamide, 4-((3-nitro-1H-pyrazol-1-yl)methyl)-N-(6-nitrobenzo[d]thiazol-2-yl)benzamide, N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]-4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzamide
| Molecular Formula | C18H12N6O5S |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 3.6098 |
| Topological Polar Surface Area | 146.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.059 |
| Heavy Atoms | 30 |
| Complexity | 1279.9667 |
Chemical Identifiers
| CAS Number | 489409-00-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=CC(=N2)[N+](=O)[O-])C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide (CAS 489409-00-9), with molecular formula C18H12N6O5S and molecular weight 424.06 g/mol. IUPAC: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide.
Chemical Property Profile of N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide
Property Insights of N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide
The XLogP value of 3.6098 indicates that N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.09 Ų indicates high polarity, suggesting N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide has 1 hydrogen bond donor(s) and 8 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 N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide?
The CAS number of N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide is 489409-00-9.
What is the molecular formula of N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide?
The molecular formula of N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide is C18H12N6O5S.
What is the molecular weight of N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide?
The molecular weight of N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide is 424.06 g/mol.
Where can I buy N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide?
You can request a quote for N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(3-nitropyrazol-1-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.