![7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one structure](/static/products/2720/27209-40-1.webp)
7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one
TL;DR: 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one (CAS 27209-40-1) is a chemical compound with molecular formula C13H12FN3OS and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one
Also Known As: 7-(4-fluorophenyl)-1-methyl-2,7-dihydropyrazolo[3,4-d][1,3]t, 7-(4-Fluorophenyl)-1-methyl-2,7-dihydro-1H-pyrazolo[3,4-d][1,3]thiazepin-4(5H)-one, 7-(4-fluorophenyl)-1-methyl-2,7-dihydropyrazolo[3,4-d][1,3]thiazepin-4-one, 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[3,4-d][1,3]thiazepin-4-one
| Molecular Formula | C13H12FN3OS |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.0685 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 27209-40-1 |
|---|---|
| SMILES | CN1C2=C(C=N1)C(=O)CSC(N2)C3=CC=C(C=C3)F |
| InChIKey | CIPLLNSAYULDDQ-UHFFFAOYSA-N |
Product Overview
7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one (CAS 27209-40-1), with molecular formula C13H12FN3OS and molecular weight 277.07 g/mol. IUPAC: 7-(4-fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one.
Chemical Property Profile of 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one
Property Insights of 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one. Following Lipinski's Rule of Five, 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one has 1 hydrogen bond donor(s) and 5 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 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one?
The CAS number of 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one is 27209-40-1.
What is the molecular formula of 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one?
The molecular formula of 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one is C13H12FN3OS.
What is the molecular weight of 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one?
The molecular weight of 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one is 277.07 g/mol.
Where can I buy 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one?
You can request a quote for 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-Fluorophenyl)-1-methyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.