5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine
TL;DR: 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine (CAS 334504-44-8) is a chemical compound with molecular formula C12H16N4O and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-amine
Also Known As: 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine, 5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-amine, BIM-0031653.P001, BIM-0035603.P001, 5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-ylamine
| Molecular Formula | C12H16N4O |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 2.2328 |
| Topological Polar Surface Area | 76.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.13242 |
| Heavy Atoms | 17 |
| Complexity | 463.6128 |
Chemical Identifiers
| CAS Number | 334504-44-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NC(=NN2)N |
Product Overview
5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine (CAS 334504-44-8), with molecular formula C12H16N4O and molecular weight 232.13 g/mol. IUPAC: 5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine
Property Insights of 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine
The XLogP value of 2.2328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine. The TPSA of 76.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine has 2 hydrogen bond donor(s) and 4 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 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine?
The CAS number of 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine is 334504-44-8.
What is the molecular formula of 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine?
The molecular formula of 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine is C12H16N4O.
What is the molecular weight of 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine?
The molecular weight of 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine is 232.13 g/mol.
Where can I buy 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine?
You can request a quote for 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-butoxyphenyl)-4H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.