4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid
TL;DR: 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid (CAS 163527-47-7) is a chemical compound with molecular formula C6H8N4O4 and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitro-1,2,4-triazol-1-yl)butanoic acid
Also Known As: 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid, 4-(3-Nitro-[1,2,4]triazol-1-yl)-butyric acid, 4-(3-nitro-1,2,4-triazol-1-yl)butanoic acid, ZERO/001998, BAS 07803738
| Molecular Formula | C6H8N4O4 |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 0.0511 |
| Topological Polar Surface Area | 111.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.05455 |
| Heavy Atoms | 14 |
| Complexity | 347.35562 |
Chemical Identifiers
| CAS Number | 163527-47-7 |
|---|---|
| SMILES | C1=NC(=NN1CCCC(=O)O)[N+](=O)[O-] |
Product Overview
4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid (CAS 163527-47-7), with molecular formula C6H8N4O4 and molecular weight 200.05 g/mol. IUPAC: 4-(3-nitro-1,2,4-triazol-1-yl)butanoic acid.
Chemical Property Profile of 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid
Property Insights of 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid
The XLogP value of 0.0511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid. The TPSA of 111.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid has 1 hydrogen bond donor(s) and 5 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 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid?
The CAS number of 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid is 163527-47-7.
What is the molecular formula of 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid?
The molecular formula of 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid is C6H8N4O4.
What is the molecular weight of 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid?
The molecular weight of 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid is 200.05 g/mol.
Where can I buy 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid?
You can request a quote for 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.