N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
TL;DR: N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (CAS 313986-42-4) is a chemical compound with molecular formula C11H10N6O6 and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Also Known As: ChemDiv1_000789, BAS 00398115, N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide, N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide, N-(3-Methoxy-5-nitro-phenyl)-2-(3-nitro-[1,2,4]triazol-1-yl)-acetamide
| Molecular Formula | C11H10N6O6 |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 0.7418 |
| Topological Polar Surface Area | 155.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.0662 |
| Heavy Atoms | 23 |
| Complexity | 772.1175 |
Chemical Identifiers
| CAS Number | 313986-42-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=NC(=N2)[N+](=O)[O-] |
Product Overview
N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (CAS 313986-42-4), with molecular formula C11H10N6O6 and molecular weight 322.07 g/mol. IUPAC: N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
Chemical Property Profile of N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Property Insights of N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
The XLogP value of 0.7418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide. The TPSA of 155.32 Ų indicates high polarity, suggesting N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide 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-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The CAS number of N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is 313986-42-4.
What is the molecular formula of N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular formula of N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is C11H10N6O6.
What is the molecular weight of N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular weight of N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is 322.07 g/mol.
Where can I buy N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
You can request a quote for N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methoxy-5-nitrophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.