2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine
TL;DR: 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine (CAS 321574-18-9) is a chemical compound with molecular formula C13H14FN3O2S and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-5-amine
Also Known As: 2-(1,1-dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine, 3-[5-amino-4-(4-fluorophenyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione, 3-[5-amino-4-(4-fluorophenyl)-1H-pyrazol-1-yl]-1lambda6-thiolane-1,1-dione, 3-[5-amino-4-(4-fluorophenyl)pyrazol-1-yl]-1??-thiolane-1,1-dione, 3-(5-Amino-4-(4-fluorophenyl)-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
| Molecular Formula | C13H14FN3O2S |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 1.631 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.07907 |
| Heavy Atoms | 20 |
| Complexity | 737.4768 |
Chemical Identifiers
| CAS Number | 321574-18-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=C(C=N2)C3=CC=C(C=C3)F)N |
Product Overview
2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine (CAS 321574-18-9), with molecular formula C13H14FN3O2S and molecular weight 295.08 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-5-amine.
Chemical Property Profile of 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine
Property Insights of 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine
The XLogP value of 1.631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine. Following Lipinski's Rule of Five, 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine has 1 hydrogen bond donor(s) and 4 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 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine?
The CAS number of 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine is 321574-18-9.
What is the molecular formula of 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine?
The molecular formula of 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine is C13H14FN3O2S.
What is the molecular weight of 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine?
The molecular weight of 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine is 295.08 g/mol.
Where can I buy 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine?
You can request a quote for 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.