methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate
TL;DR: methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate (CAS 105958-58-5) is a chemical compound with molecular formula C6H8N4O4 and molecular weight 200.05455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(3-nitro-1,2,4-triazol-1-yl)propanoate
Also Known As: methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate, methyl 3-(3-nitro-1,2,4-triazol-1-yl)propanoate, BAS 07524608, 1H-1,2,4-Triazole-1-propanoic acid, 3-nitro-, methyl ester, 3-(3-Nitro-[1,2,4]triazol-1-yl)-propionic acid methyl ester
Technical Specifications
| Molecular Formula | C6H8N4O4 |
| Molecular Weight | 200.05455 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.05455 Da |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
| SMILES | COC(=O)CCN1C=NC(=N1)[N+](=O)[O-] |
| InChIKey | FIJGITPHCVSQPP-UHFFFAOYSA-N |
Chemical Property Profile of methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate
Property Insights of methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate. Following Lipinski's Rule of Five, methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate?
The CAS number of methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate is 105958-58-5.
What is the molecular formula of methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate?
The molecular formula of methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate is C6H8N4O4.
What is the molecular weight of methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate?
The molecular weight of methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate is 200.05455 g/mol.
Where can I buy methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate?
You can request a quote for methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate?
Yes, CoreyChem provides custom synthesis services for methyl 3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.