4-(1H-1,2,4-triazol-1-yl)butanoic acid
TL;DR: 4-(1H-1,2,4-triazol-1-yl)butanoic acid (CAS 158147-52-5) is a chemical compound with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,2,4-triazol-1-yl)butanoic acid
Also Known As: 4-(1H-1,2,4-triazol-1-yl)butanoic acid, 4-(1,2,4-triazol-1-yl)butanoic acid, 1,2,4-Triazole-butyric acid, 1H-1,2,4-Triazole-1-butanoic acid, 4-[1,2,4]Triazol-1-yl-butyric acid
| Molecular Formula | C6H9N3O2 |
|---|---|
| Molecular Weight | 155.07 g/mol |
| LogP | 0.1429 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 155.06947 |
| Heavy Atoms | 11 |
| Complexity | 219.74109 |
Chemical Identifiers
| CAS Number | 158147-52-5 |
|---|---|
| SMILES | C1=NN(C=N1)CCCC(=O)O |
Product Overview
4-(1H-1,2,4-triazol-1-yl)butanoic acid (CAS 158147-52-5), with molecular formula C6H9N3O2 and molecular weight 155.07 g/mol. IUPAC: 4-(1,2,4-triazol-1-yl)butanoic acid.
Chemical Property Profile of 4-(1H-1,2,4-triazol-1-yl)butanoic acid
Property Insights of 4-(1H-1,2,4-triazol-1-yl)butanoic acid
The XLogP value of 0.1429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-1,2,4-triazol-1-yl)butanoic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-1,2,4-triazol-1-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(1H-1,2,4-triazol-1-yl)butanoic acid has 1 hydrogen bond donor(s) and 3 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-(1H-1,2,4-triazol-1-yl)butanoic acid?
The CAS number of 4-(1H-1,2,4-triazol-1-yl)butanoic acid is 158147-52-5.
What is the molecular formula of 4-(1H-1,2,4-triazol-1-yl)butanoic acid?
The molecular formula of 4-(1H-1,2,4-triazol-1-yl)butanoic acid is C6H9N3O2.
What is the molecular weight of 4-(1H-1,2,4-triazol-1-yl)butanoic acid?
The molecular weight of 4-(1H-1,2,4-triazol-1-yl)butanoic acid is 155.07 g/mol.
Where can I buy 4-(1H-1,2,4-triazol-1-yl)butanoic acid?
You can request a quote for 4-(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-(1H-1,2,4-triazol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-1,2,4-triazol-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.