4H-1,2,4-Triazole, 3-bromo-4-methyl-
TL;DR: 4H-1,2,4-Triazole, 3-bromo-4-methyl- (CAS 16681-73-5) is a chemical compound with molecular formula C3H4BrN3 and molecular weight 160.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methyl-1,2,4-triazole
Also Known As: 3-bromo-4-methyl-4H-1,2,4-triazole, 3-bromo-4-methyl-1,2,4-triazole, 1-Isomangostin, 4H-1,2,4-Triazole, 3-bromo-4-methyl-, PYMVKLCRJYMSGC-UHFFFAOYSA-
| Molecular Formula | C3H4BrN3 |
|---|---|
| Molecular Weight | 160.96 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.95886 |
| Heavy Atoms | 7 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 16681-73-5 |
|---|---|
| SMILES | CN1C=NN=C1Br |
| InChIKey | PYMVKLCRJYMSGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1,2,4-Triazole, 3-bromo-4-methyl- (CAS 16681-73-5), with molecular formula C3H4BrN3 and molecular weight 160.96 g/mol. IUPAC: 3-bromo-4-methyl-1,2,4-triazole.
Chemical Property Profile of 4H-1,2,4-Triazole, 3-bromo-4-methyl-
Property Insights of 4H-1,2,4-Triazole, 3-bromo-4-methyl-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 3-bromo-4-methyl-. With a topological polar surface area (TPSA) of 30.7 Ų, 4H-1,2,4-Triazole, 3-bromo-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 3-bromo-4-methyl- 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-methyl-?
The CAS number of 4H-1,2,4-Triazole, 3-bromo-4-methyl- is 16681-73-5.
What is the molecular formula of 4H-1,2,4-Triazole, 3-bromo-4-methyl-?
The molecular formula of 4H-1,2,4-Triazole, 3-bromo-4-methyl- is C3H4BrN3.
What is the molecular weight of 4H-1,2,4-Triazole, 3-bromo-4-methyl-?
The molecular weight of 4H-1,2,4-Triazole, 3-bromo-4-methyl- is 160.96 g/mol.
Where can I buy 4H-1,2,4-Triazole, 3-bromo-4-methyl-?
You can request a quote for 4H-1,2,4-Triazole, 3-bromo-4-methyl- 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-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazole, 3-bromo-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.