![4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one structure](/static/products/7322/732287-94-4.webp)
4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
TL;DR: 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one (CAS 732287-94-4) is a chemical compound with molecular formula C19H16BrN5OS and molecular weight 441.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, AB00718853-01, 4-[3-(2-Bromo-phenyl)-5-mercapto-[1,2,4]triazol-4-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, 4-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-(3-(2-Bromophenyl)-5-mercapto-4h-1,2,4-triazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one
| Molecular Formula | C19H16BrN5OS |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | 4.15721 |
| Topological Polar Surface Area | 60.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.02588 |
| Heavy Atoms | 27 |
| Complexity | 1249.3384 |
Chemical Identifiers
| CAS Number | 732287-94-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NNC3=S)C4=CC=CC=C4Br |
Product Overview
4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one (CAS 732287-94-4), with molecular formula C19H16BrN5OS and molecular weight 441.03 g/mol. IUPAC: 4-[3-(2-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
Property Insights of 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
The XLogP value of 4.15721 indicates that 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one has 1 hydrogen bond donor(s) and 3 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-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
The CAS number of 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one is 732287-94-4.
What is the molecular formula of 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
The molecular formula of 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one is C19H16BrN5OS.
What is the molecular weight of 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
The molecular weight of 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one is 441.03 g/mol.
Where can I buy 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
You can request a quote for 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-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-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(2-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.