(3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
TL;DR: (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone (CAS 5313-02-0) is a chemical compound with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-(4-nitrophenyl)methanone
Also Known As: 3,5-dimethyl-1-(4-nitrobenzoyl)-4-(phenylsulfanyl)-1H-pyrazole, F0755-0005, AE-641/10445037, (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone, 3,5-dimethyl-1-(4-nitrobenzoyl)-4-(phenylthio)-1H-pyrazole
| Molecular Formula | C18H15N3O3S |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 4.24784 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.0834 |
| Heavy Atoms | 25 |
| Complexity | 934.2051 |
Chemical Identifiers
| CAS Number | 5313-02-0 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)SC3=CC=CC=C3 |
Product Overview
(3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone (CAS 5313-02-0), with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol. IUPAC: (3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-(4-nitrophenyl)methanone.
Chemical Property Profile of (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
Property Insights of (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
The XLogP value of 4.24784 indicates that (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone. Following Lipinski's Rule of Five, (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone has 0 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 (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone?
The CAS number of (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone is 5313-02-0.
What is the molecular formula of (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone?
The molecular formula of (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone is C18H15N3O3S.
What is the molecular weight of (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone?
The molecular weight of (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone is 353.08 g/mol.
Where can I buy (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone?
You can request a quote for (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone 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-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.