1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine
TL;DR: 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine (CAS 895113-25-4) is a chemical compound with molecular formula C17H16FN3O2S2 and molecular weight 377.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-3-methylsulfanylpyrazol-5-amine
Also Known As: F3165-1591, 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine, 1-[(p-fluorophenyl)methyl]-3-(methylthio)-4-(phenylsulfonyl)-5-pyrazolylamine, 4-(benzenesulfonyl)-2-[(4-fluorophenyl)methyl]-5-methylsulfanylpyrazol-3-amine, 4-(BENZENESULFONYL)-1-[(4-FLUOROPHENYL)METHYL]-3-(METHYLSULFANYL)-1H-PYRAZOL-5-AMINE
| Molecular Formula | C17H16FN3O2S2 |
|---|---|
| Molecular Weight | 377.07 g/mol |
| LogP | 3.2074 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.0668 |
| Heavy Atoms | 25 |
| Complexity | 984.73737 |
Chemical Identifiers
| CAS Number | 895113-25-4 |
|---|---|
| SMILES | CSC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CC3=CC=C(C=C3)F |
Product Overview
1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine (CAS 895113-25-4), with molecular formula C17H16FN3O2S2 and molecular weight 377.07 g/mol. IUPAC: 4-(benzenesulfonyl)-1-[(4-fluorophenyl)methyl]-3-methylsulfanylpyrazol-5-amine.
Chemical Property Profile of 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine
Property Insights of 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine
The XLogP value of 3.2074 indicates that 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine. Following Lipinski's Rule of Five, 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine 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 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine?
The CAS number of 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine is 895113-25-4.
What is the molecular formula of 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine?
The molecular formula of 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine is C17H16FN3O2S2.
What is the molecular weight of 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine?
The molecular weight of 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine is 377.07 g/mol.
Where can I buy 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine?
You can request a quote for 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorobenzyl)-3-(methylthio)-4-(phenylsulfonyl)-1H-pyrazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.