![N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide structure](/static/products/100/1005663-63-7.png)
N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
TL;DR: N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide (CAS 1005663-63-7) is a chemical compound with molecular formula C20H17N5O3S and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
Also Known As: N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide, N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide, N-(1,3-benzothiazol-2-yl)-4-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)benzamide
| Molecular Formula | C20H17N5O3S |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 4.31844 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.10522 |
| Heavy Atoms | 29 |
| Complexity | 1193.8843 |
Chemical Identifiers
| CAS Number | 1005663-63-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)C)[N+](=O)[O-] |
Product Overview
N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide (CAS 1005663-63-7), with molecular formula C20H17N5O3S and molecular weight 407.11 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
Property Insights of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
The XLogP value of 4.31844 indicates that N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide 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 N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide is 1005663-63-7.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide is C20H17N5O3S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide is 407.11 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-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-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.