1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole
TL;DR: 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole (CAS 300815-80-9) is a chemical compound with molecular formula C17H16N2O2S2 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole
Also Known As: BAS 00355325, 1-(benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole, 1-Benzenesulfonyl-3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole, AF-399/36012056, 3,5-dimethyl-1-(phenylsulfonyl)-4-phenylthiopyrazole
| Molecular Formula | C17H16N2O2S2 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 3.88814 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0653 |
| Heavy Atoms | 23 |
| Complexity | 917.98706 |
Chemical Identifiers
| CAS Number | 300815-80-9 |
|---|---|
| SMILES | CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)SC3=CC=CC=C3 |
Product Overview
1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole (CAS 300815-80-9), with molecular formula C17H16N2O2S2 and molecular weight 344.07 g/mol. IUPAC: 1-(benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole.
Chemical Property Profile of 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole
Property Insights of 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole
The XLogP value of 3.88814 indicates that 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole has 0 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 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole?
The CAS number of 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole is 300815-80-9.
What is the molecular formula of 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole?
The molecular formula of 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole is C17H16N2O2S2.
What is the molecular weight of 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole?
The molecular weight of 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole is 344.07 g/mol.
Where can I buy 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole?
You can request a quote for 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfonyl)-3,5-dimethyl-4-phenylsulfanylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.