![3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine structure](/static/products/5046/5046-66-2.webp)
3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
TL;DR: 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine (CAS 5046-66-2) is a chemical compound with molecular formula C20H19FN4O2 and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
Also Known As: 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine, 10-[(2-fluorophenyl)methyl]-8-(2-nitrophenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene, 3-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine
| Molecular Formula | C20H19FN4O2 |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 4.2586 |
| Topological Polar Surface Area | 72.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.1492 |
| Heavy Atoms | 27 |
| Complexity | 999.39685 |
Chemical Identifiers
| CAS Number | 5046-66-2 |
|---|---|
| SMILES | C1CCNC2=C(C1)C(=NN2C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4F |
Product Overview
3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine (CAS 5046-66-2), with molecular formula C20H19FN4O2 and molecular weight 366.15 g/mol. IUPAC: 3-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine.
Chemical Property Profile of 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
Property Insights of 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
The XLogP value of 4.2586 indicates that 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine. Following Lipinski's Rule of Five, 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine has 1 hydrogen bond donor(s) and 4 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-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The CAS number of 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is 5046-66-2.
What is the molecular formula of 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The molecular formula of 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is C20H19FN4O2.
What is the molecular weight of 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The molecular weight of 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is 366.15 g/mol.
Where can I buy 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
You can request a quote for 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Fluorophenyl)methyl]-1-(2-nitrophenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.