![1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one structure](/static/products/714/714253-69-7.png)
1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
TL;DR: 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714253-69-7) is a chemical compound with molecular formula C20H18BrN3OS and molecular weight 427.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(4-bromophenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 1-benzyl-4-(4-bromophenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol, 1-benzyl-4-(4-bromophenyl)-3-methyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 8-benzyl-2-(4-bromophenyl)-10-methyl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one
| Molecular Formula | C20H18BrN3OS |
|---|---|
| Molecular Weight | 427.04 g/mol |
| LogP | 4.77702 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.0354 |
| Heavy Atoms | 26 |
| Complexity | 937.69507 |
Chemical Identifiers
| CAS Number | 714253-69-7 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CC=C(C=C3)Br)CC4=CC=CC=C4 |
Product Overview
1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714253-69-7), with molecular formula C20H18BrN3OS and molecular weight 427.04 g/mol. IUPAC: 1-benzyl-4-(4-bromophenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Property Insights of 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
The XLogP value of 4.77702 indicates that 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-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, 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-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 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The CAS number of 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 714253-69-7.
What is the molecular formula of 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular formula of 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is C20H18BrN3OS.
What is the molecular weight of 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular weight of 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 427.04 g/mol.
Where can I buy 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
You can request a quote for 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-(4-bromophenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.