4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-
TL;DR: 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl- (CAS 56616-84-3) 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.
3-bromo-4,5-dimethyl-1,2,4-triazole
Also Known As: 3-BROMO-4,5-DIMETHYL-4H-1,2,4-TRIAZOLE, 3-bromo-4,5-dimethyl-1,2,4-triazole, 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-, 4H-1,2,4-Triazole,3-bromo-4,5-dimethyl-, 4H-1,2,4-Triazole,3-bromo-4,5-dimethyl
| Molecular Formula | C4H6BrN3 |
|---|---|
| Molecular Weight | 174.97 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.9745 |
| Heavy Atoms | 8 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 56616-84-3 |
|---|---|
| SMILES | CC1=NN=C(N1C)Br |
| InChIKey | SSCGHVSAPLUMAF-UHFFFAOYSA-N |
Product Overview
4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl- (CAS 56616-84-3), with molecular formula C4H6BrN3 and molecular weight 174.97 g/mol. IUPAC: 3-bromo-4,5-dimethyl-1,2,4-triazole.
Chemical Property Profile of 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-
Property Insights of 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-. With a topological polar surface area (TPSA) of 30.7 Ų, 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl- 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 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-?
The CAS number of 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl- is 56616-84-3.
What is the molecular formula of 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-?
The molecular formula of 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl- is C4H6BrN3.
What is the molecular weight of 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-?
The molecular weight of 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl- is 174.97 g/mol.
Where can I buy 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-?
You can request a quote for 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl- 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-bromo-4,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.