1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide
TL;DR: 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide (CAS 492424-30-3) is a chemical compound with molecular formula C14H13N5O4S and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide
Also Known As: 1-ethyl-4-nitro-N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide, 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide
| Molecular Formula | C14H13N5O4S |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 2.6818 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.06882 |
| Heavy Atoms | 24 |
| Complexity | 932.5376 |
Chemical Identifiers
| CAS Number | 492424-30-3 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide (CAS 492424-30-3), with molecular formula C14H13N5O4S and molecular weight 347.07 g/mol. IUPAC: 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide.
Chemical Property Profile of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide
Property Insights of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide
The XLogP value of 2.6818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide. Following Lipinski's Rule of Five, 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide 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 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The CAS number of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide is 492424-30-3.
What is the molecular formula of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The molecular formula of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide is C14H13N5O4S.
What is the molecular weight of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The molecular weight of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide is 347.07 g/mol.
Where can I buy 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide?
You can request a quote for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.