![1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one structure](/static/products/585/585553-59-9.png)
1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
TL;DR: 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one (CAS 585553-59-9) is a chemical compound with molecular formula C25H21N3OS and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-(4-methylphenyl)-1,3-diphenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(4-methylphenyl)-1,3-diphenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
| Molecular Formula | C25H21N3OS |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 5.62242 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.14053 |
| Heavy Atoms | 30 |
| Complexity | 1184.5631 |
Chemical Identifiers
| CAS Number | 585553-59-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one (CAS 585553-59-9), with molecular formula C25H21N3OS and molecular weight 411.14 g/mol. IUPAC: 4-(4-methylphenyl)-1,3-diphenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
Property Insights of 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
The XLogP value of 5.62242 indicates that 1,3-diphenyl-4-(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, 1,3-diphenyl-4-(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, 1,3-diphenyl-4-(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 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The CAS number of 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is 585553-59-9.
What is the molecular formula of 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The molecular formula of 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is C25H21N3OS.
What is the molecular weight of 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The molecular weight of 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is 411.14 g/mol.
Where can I buy 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
You can request a quote for 1,3-diphenyl-4-(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 1,3-diphenyl-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-diphenyl-4-(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.