1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-
TL;DR: 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl- (CAS 56616-96-7) 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-1,3-dimethyl-1,2,4-triazole
Also Known As: 5-BROMO-1,3-DIMETHYL-1H-1,2,4-TRIAZOLE, 5-bromo-1,3-dimethyl-1,2,4-triazole, 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-, 1H-1,2,4-Triazole,5-bromo-1,3-dimethyl-, 1H-1,2,4-Triazole,5-bromo-1,3-dimethyl
| Molecular Formula | C4H6BrN3 |
|---|---|
| Molecular Weight | 174.97 g/mol |
| LogP | 1.4 |
| 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 | 56616-96-7 |
|---|---|
| SMILES | CC1=NN(C(=N1)Br)C |
| InChIKey | FHPZKFCCOUUHEQ-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl- (CAS 56616-96-7), with molecular formula C4H6BrN3 and molecular weight 174.97 g/mol. IUPAC: 5-bromo-1,3-dimethyl-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-
Property Insights of 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-. With a topological polar surface area (TPSA) of 30.7 Ų, 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 5-bromo-1,3-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 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-?
The CAS number of 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl- is 56616-96-7.
What is the molecular formula of 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-?
The molecular formula of 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl- is C4H6BrN3.
What is the molecular weight of 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-?
The molecular weight of 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl- is 174.97 g/mol.
Where can I buy 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-?
You can request a quote for 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.