5-Bromo-1-Ethyl-1H-1,2,4-Triazole
TL;DR: 5-Bromo-1-Ethyl-1H-1,2,4-Triazole (CAS 64907-55-7) is a chemical compound with molecular formula C4H6BrN3 and molecular weight 174.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-ethyl-1,2,4-triazole
Also Known As: 5-Bromo-1-ethyl-1H-1,2,4-triazole, 5-bromo-1-ethyl-1,2,4-triazole, 1-Ethyl-5-bromo-1,2,4-triazole, 1H-1,2,4-Triazole, 5-bromo-1-ethyl-, 1H-1,2,4-Triazole,5-bromo-1-ethyl-(9CI)
| Molecular Formula | C4H6BrN3 |
|---|---|
| Molecular Weight | 174.97 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.9745 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 64907-55-7 |
|---|---|
| SMILES | CCN1C(=NC=N1)Br |
| InChIKey | JHTVMKGZVICRCM-UHFFFAOYSA-N |
Product Overview
5-Bromo-1-Ethyl-1H-1,2,4-Triazole (CAS 64907-55-7), with molecular formula C4H6BrN3 and molecular weight 174.97 g/mol. IUPAC: 5-bromo-1-ethyl-1,2,4-triazole.
Chemical Property Profile of 5-Bromo-1-Ethyl-1H-1,2,4-Triazole
Property Insights of 5-Bromo-1-Ethyl-1H-1,2,4-Triazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1-Ethyl-1H-1,2,4-Triazole. With a topological polar surface area (TPSA) of 30.7 Ų, 5-Bromo-1-Ethyl-1H-1,2,4-Triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1-Ethyl-1H-1,2,4-Triazole has 0 hydrogen bond donor(s) and 2 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-Bromo-1-Ethyl-1H-1,2,4-Triazole?
The CAS number of 5-Bromo-1-Ethyl-1H-1,2,4-Triazole is 64907-55-7.
What is the molecular formula of 5-Bromo-1-Ethyl-1H-1,2,4-Triazole?
The molecular formula of 5-Bromo-1-Ethyl-1H-1,2,4-Triazole is C4H6BrN3.
What is the molecular weight of 5-Bromo-1-Ethyl-1H-1,2,4-Triazole?
The molecular weight of 5-Bromo-1-Ethyl-1H-1,2,4-Triazole is 174.97 g/mol.
Where can I buy 5-Bromo-1-Ethyl-1H-1,2,4-Triazole?
You can request a quote for 5-Bromo-1-Ethyl-1H-1,2,4-Triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1-Ethyl-1H-1,2,4-Triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1-Ethyl-1H-1,2,4-Triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.