3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole
TL;DR: 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole (CAS 799778-27-1) is a chemical compound with molecular formula C14H13N3O5S and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-yl)-2-methylsulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole
Also Known As: 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole, 5-(furan-2-yl)-2-methylsulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole, 3-Furan-2-yl-1-methanesulfonyl-5-(3-nitro-phenyl)-4,5-dihydro-1H-pyrazole
| Molecular Formula | C14H13N3O5S |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 2.2985 |
| Topological Polar Surface Area | 106.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.0576 |
| Heavy Atoms | 23 |
| Complexity | 873.5775 |
Chemical Identifiers
| CAS Number | 799778-27-1 |
|---|---|
| SMILES | CS(=O)(=O)N1C(CC(=N1)C2=CC=CO2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole (CAS 799778-27-1), with molecular formula C14H13N3O5S and molecular weight 335.06 g/mol. IUPAC: 5-(furan-2-yl)-2-methylsulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole.
Chemical Property Profile of 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole
Property Insights of 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole
The XLogP value of 2.2985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole. The TPSA of 106.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole. Following Lipinski's Rule of Five, 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-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-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole?
The CAS number of 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole is 799778-27-1.
What is the molecular formula of 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole?
The molecular formula of 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole is C14H13N3O5S.
What is the molecular weight of 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole?
The molecular weight of 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole is 335.06 g/mol.
Where can I buy 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole?
You can request a quote for 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-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-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-yl)-1-(methylsulfonyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.