4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 343373-36-4) is a chemical compound with molecular formula C18H18BrN3O and molecular weight 371.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-one
Also Known As: Bionet1_003130, 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-one, 6N-040, 4-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C18H18BrN3O |
|---|---|
| Molecular Weight | 371.06 g/mol |
| LogP | 3.77006 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.06332 |
| Heavy Atoms | 23 |
| Complexity | 883.7564 |
Chemical Identifiers
| CAS Number | 343373-36-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CN2C(=O)N(C=N2)C3=CC=C(C=C3)Br)C |
Product Overview
4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 343373-36-4), with molecular formula C18H18BrN3O and molecular weight 371.06 g/mol. IUPAC: 4-(4-bromophenyl)-2-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 3.77006 indicates that 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 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-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 343373-36-4.
What is the molecular formula of 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is C18H18BrN3O.
What is the molecular weight of 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 371.06 g/mol.
Where can I buy 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.