![4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE structure](/static/products/714/714922-15-3.png)
4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
TL;DR: 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE (CAS 714922-15-3) is a chemical compound with molecular formula C20H18FN3OS and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 4-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol, 4-(4-fluorophenyl)-3-methyl-1-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C20H18FN3OS |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 4.40294 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.11545 |
| Heavy Atoms | 26 |
| Complexity | 963.97144 |
Chemical Identifiers
| CAS Number | 714922-15-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)F)C(=N2)C |
Product Overview
4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE (CAS 714922-15-3), with molecular formula C20H18FN3OS and molecular weight 367.12 g/mol. IUPAC: 4-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
Property Insights of 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
The XLogP value of 4.40294 indicates that 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[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, 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[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 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The CAS number of 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is 714922-15-3.
What is the molecular formula of 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The molecular formula of 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is C20H18FN3OS.
What is the molecular weight of 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The molecular weight of 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is 367.12 g/mol.
Where can I buy 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
You can request a quote for 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[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 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-FLUOROPHENYL)-3-METHYL-1-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.