4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-
TL;DR: 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)- (CAS 5369-84-6) 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.
4-[2-(2,6-dimethylphenoxy)ethyl]-1,2,4-triazol-3-amine
Also Known As: 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-, 3-Amino-4-(2-(2,6-xylyloxy)ethyl)-4H-1,2,4-triazole, 5-26-07-00494 (Beilstein Handbook Reference), 4-[2-(2,6-dimethylphenoxy)ethyl]-1,2,4-triazol-3-amine, 4-(2-(2,6-Dimethylphenoxy)ethyl)-4H-1,2,4-triazol-3-amine
| Molecular Formula | C12H16N4O |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.13242 |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 5369-84-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCCN2C=NN=C2N |
| InChIKey | BQIJYQMEEOPKBX-UHFFFAOYSA-N |
Product Overview
4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)- (CAS 5369-84-6), with molecular formula C12H16N4O and molecular weight 232.13 g/mol. IUPAC: 4-[2-(2,6-dimethylphenoxy)ethyl]-1,2,4-triazol-3-amine.
Chemical Property Profile of 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-
Property Insights of 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)- has 1 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 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-?
The CAS number of 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)- is 5369-84-6.
What is the molecular formula of 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-?
The molecular formula of 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)- is C12H16N4O.
What is the molecular weight of 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-?
The molecular weight of 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)- is 232.13 g/mol.
Where can I buy 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-?
You can request a quote for 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazole, 3-amino-4-(2-(2,6-xylyloxy)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.