![4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one structure](/static/products/714/714944-04-4.png)
4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
TL;DR: 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one (CAS 714944-04-4) is a chemical compound with molecular formula C25H20BrN3OS and molecular weight 489.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-3-(4-methylphenyl)-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-(4-bromophenyl)-3-(4-methylphenyl)-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(4-bromophenyl)-3-(4-methylphenyl)-1-phenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
| Molecular Formula | C25H20BrN3OS |
|---|---|
| Molecular Weight | 489.05 g/mol |
| LogP | 6.38492 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.05106 |
| Heavy Atoms | 31 |
| Complexity | 1234.5145 |
Chemical Identifiers
| CAS Number | 714944-04-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C3=C2C(SCC(=O)N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5 |
Product Overview
4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one (CAS 714944-04-4), with molecular formula C25H20BrN3OS and molecular weight 489.05 g/mol. IUPAC: 4-(4-bromophenyl)-3-(4-methylphenyl)-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
Property Insights of 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
The XLogP value of 6.38492 indicates that 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The CAS number of 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is 714944-04-4.
What is the molecular formula of 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The molecular formula of 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is C25H20BrN3OS.
What is the molecular weight of 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The molecular weight of 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is 489.05 g/mol.
Where can I buy 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
You can request a quote for 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-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)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-1-phenyl-3-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.