3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole
TL;DR: 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole (CAS 302582-55-4) is a chemical compound with molecular formula C17H15N3O4S2 and molecular weight 389.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-(2-nitrophenyl)sulfonyl-4-phenylsulfanylpyrazole
Also Known As: CBKinase1_000163, CBKinase1_012563, BAS 00502419, BIM-0017162.P001, AB00685682-01
| Molecular Formula | C17H15N3O4S2 |
|---|---|
| Molecular Weight | 389.05 g/mol |
| LogP | 3.79634 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.05038 |
| Heavy Atoms | 26 |
| Complexity | 1076.6423 |
Chemical Identifiers
| CAS Number | 302582-55-4 |
|---|---|
| SMILES | CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C)SC3=CC=CC=C3 |
Product Overview
3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole (CAS 302582-55-4), with molecular formula C17H15N3O4S2 and molecular weight 389.05 g/mol. IUPAC: 3,5-dimethyl-1-(2-nitrophenyl)sulfonyl-4-phenylsulfanylpyrazole.
Chemical Property Profile of 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole
Property Insights of 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole
The XLogP value of 3.79634 indicates that 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole has 0 hydrogen bond donor(s) and 6 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 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole?
The CAS number of 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole is 302582-55-4.
What is the molecular formula of 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole?
The molecular formula of 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole is C17H15N3O4S2.
What is the molecular weight of 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole?
The molecular weight of 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole is 389.05 g/mol.
Where can I buy 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole?
You can request a quote for 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-(2-nitro-benzenesulfonyl)-4-phenylsulfanyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.