Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-
TL;DR: Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)- (CAS 53003-90-0) is a chemical compound with molecular formula C10H8IN3O4 and molecular weight 360.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-iodo-5-methyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]ethanone
Also Known As: Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-, 1-Acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-pyrazole, 1-[4-iodo-5-methyl-3-(5-nitrofuran-2-yl)-1H-pyrazol-1-yl]ethan-1-one, 1-Acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-1H-pyrazole, 1-[4-iodo-5-methyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]ethanone
| Molecular Formula | C10H8IN3O4 |
|---|---|
| Molecular Weight | 360.96 g/mol |
| LogP | 2.62442 |
| Topological Polar Surface Area | 91.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.95596 |
| Heavy Atoms | 18 |
| Complexity | 643.5886 |
Chemical Identifiers
| CAS Number | 53003-90-0 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C)C2=CC=C(O2)[N+](=O)[O-])I |
Product Overview
Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)- (CAS 53003-90-0), with molecular formula C10H8IN3O4 and molecular weight 360.96 g/mol. IUPAC: 1-[4-iodo-5-methyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]ethanone.
Chemical Property Profile of Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-
Property Insights of Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-
The XLogP value of 2.62442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-. The TPSA of 91.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-. Following Lipinski's Rule of Five, Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)- 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 Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-?
The CAS number of Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)- is 53003-90-0.
What is the molecular formula of Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-?
The molecular formula of Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)- is C10H8IN3O4.
What is the molecular weight of Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-?
The molecular weight of Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)- is 360.96 g/mol.
Where can I buy Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-?
You can request a quote for Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole, 1-acetyl-4-iodo-5-methyl-3-(5-nitro-2-furyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.