3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
TL;DR: 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 866153-07-3) is a chemical compound with molecular formula C9H8BrN3O and molecular weight 252.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-4-methyl-1H-1,2,4-triazol-5-one
Also Known As: 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one, 5-(3-bromophenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 3-(3-bromophenyl)-4-methyl-1H-1,2,4-triazol-5-one, 833-353-1, RefChem:491799
| Molecular Formula | C9H8BrN3O |
|---|---|
| Molecular Weight | 252.99 g/mol |
| LogP | 1.5379 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.98508 |
| Heavy Atoms | 14 |
| Complexity | 514.77075 |
Chemical Identifiers
| CAS Number | 866153-07-3 |
|---|---|
| SMILES | CN1C(=NNC1=O)C2=CC(=CC=C2)Br |
Product Overview
3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 866153-07-3), with molecular formula C9H8BrN3O and molecular weight 252.99 g/mol. IUPAC: 3-(3-bromophenyl)-4-methyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
Property Insights of 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
The XLogP value of 1.5379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one. With a topological polar surface area (TPSA) of 50.68 Ų, 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one has 1 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 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one?
The CAS number of 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one is 866153-07-3.
What is the molecular formula of 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one?
The molecular formula of 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one is C9H8BrN3O.
What is the molecular weight of 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one?
The molecular weight of 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one is 252.99 g/mol.
Where can I buy 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one?
You can request a quote for 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.