4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 343373-33-1) is a chemical compound with molecular formula C13H8BrN5O3 and molecular weight 360.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-1,2,4-triazol-3-one
Also Known As: Bionet1_003128, 6N-029, 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-(4-bromophenyl)-2-(3-nitropyridin-2-yl)-1,2,4-triazol-3-one, 4-(4-bromophenyl)-1-(3-nitropyridin-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C13H8BrN5O3 |
|---|---|
| Molecular Weight | 360.98 g/mol |
| LogP | 2.0889 |
| Topological Polar Surface Area | 95.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.98105 |
| Heavy Atoms | 22 |
| Complexity | 900.53906 |
Chemical Identifiers
| CAS Number | 343373-33-1 |
|---|---|
| SMILES | C1=CC(=C(N=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)Br)[N+](=O)[O-] |
Product Overview
4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 343373-33-1), with molecular formula C13H8BrN5O3 and molecular weight 360.98 g/mol. IUPAC: 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 2.0889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one. The TPSA of 95.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one has 0 hydrogen bond donor(s) and 5 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-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 343373-33-1.
What is the molecular formula of 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is C13H8BrN5O3.
What is the molecular weight of 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 360.98 g/mol.
Where can I buy 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-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-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.