4-bromo-1,5-dimethyl-1H-1,2,3-triazole
TL;DR: 4-bromo-1,5-dimethyl-1H-1,2,3-triazole (CAS 885877-41-8) 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.
4-bromo-1,5-dimethyltriazole
Also Known As: 4-bromo-1,5-dimethyl-1H-1,2,3-triazole, 4-bromo-1,5-dimethyltriazole, 4-bromo-1,5-dimethyl-triazole, 1H-1,2,3-triazole, 4-bromo-1,5-dimethyl-, 4-Bromo-1,5-dimethyl-2H-1,2,3-triazole
| Molecular Formula | C4H6BrN3 |
|---|---|
| Molecular Weight | 174.97 g/mol |
| LogP | 0.88602 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.9745 |
| Heavy Atoms | 8 |
| Complexity | 173.66353 |
Chemical Identifiers
| CAS Number | 885877-41-8 |
|---|---|
| SMILES | CC1=C(N=NN1C)Br |
Product Overview
4-bromo-1,5-dimethyl-1H-1,2,3-triazole (CAS 885877-41-8), with molecular formula C4H6BrN3 and molecular weight 174.97 g/mol. IUPAC: 4-bromo-1,5-dimethyltriazole.
Chemical Property Profile of 4-bromo-1,5-dimethyl-1H-1,2,3-triazole
Property Insights of 4-bromo-1,5-dimethyl-1H-1,2,3-triazole
The XLogP value of 0.88602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-1,5-dimethyl-1H-1,2,3-triazole. With a topological polar surface area (TPSA) of 30.71 Ų, 4-bromo-1,5-dimethyl-1H-1,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-1,5-dimethyl-1H-1,2,3-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 4-bromo-1,5-dimethyl-1H-1,2,3-triazole?
The CAS number of 4-bromo-1,5-dimethyl-1H-1,2,3-triazole is 885877-41-8.
What is the molecular formula of 4-bromo-1,5-dimethyl-1H-1,2,3-triazole?
The molecular formula of 4-bromo-1,5-dimethyl-1H-1,2,3-triazole is C4H6BrN3.
What is the molecular weight of 4-bromo-1,5-dimethyl-1H-1,2,3-triazole?
The molecular weight of 4-bromo-1,5-dimethyl-1H-1,2,3-triazole is 174.97 g/mol.
Where can I buy 4-bromo-1,5-dimethyl-1H-1,2,3-triazole?
You can request a quote for 4-bromo-1,5-dimethyl-1H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-1,5-dimethyl-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-1,5-dimethyl-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.