![[3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone structure](/static/products/3942/394237-05-9.webp)
[3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone
TL;DR: [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone (CAS 394237-05-9) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone
Also Known As: BAS 00793687, AS-871/12094014, 1-(furan-2-carbonyl)-3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole, F0755-0108, [3,5-Dimethyl-4-(4-nitro-phenylsulfanyl)-pyrazol-1-yl]-furan-2-yl-methanone
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 394237-05-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC=CO2)C)SC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | JBDAJJTWCNIRQT-UHFFFAOYSA-N |
Product Overview
[3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone (CAS 394237-05-9), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone.
Chemical Property Profile of [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone
Property Insights of [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone
The XLogP value of 3.9 indicates that [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone. Following Lipinski's Rule of Five, [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone 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-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone?
The CAS number of [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone is 394237-05-9.
What is the molecular formula of [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone?
The molecular formula of [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone is C16H13N3O4S.
What is the molecular weight of [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone?
The molecular weight of [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone is 343.06 g/mol.
Where can I buy [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone?
You can request a quote for [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)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-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [3,5-Dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(furan-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.