![9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione structure](/static/products/459/459151-00-9.png)
9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
TL;DR: 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione (CAS 459151-00-9) is a chemical compound with molecular formula C20H17BrN4O4 and molecular weight 456.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-bromophenyl)-4-(3-nitrophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 9-(4-bromophenyl)-2-(3-nitrophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C20H17BrN4O4 |
|---|---|
| Molecular Weight | 456.04 g/mol |
| LogP | 2.8929 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.04333 |
| Heavy Atoms | 29 |
| Complexity | 1027.3962 |
Chemical Identifiers
| CAS Number | 459151-00-9 |
|---|---|
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)Br |
Product Overview
9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione (CAS 459151-00-9), with molecular formula C20H17BrN4O4 and molecular weight 456.04 g/mol. IUPAC: 7-(4-bromophenyl)-4-(3-nitrophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
Property Insights of 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
The XLogP value of 2.8929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione. Following Lipinski's Rule of Five, 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione 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 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
The CAS number of 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione is 459151-00-9.
What is the molecular formula of 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
The molecular formula of 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione is C20H17BrN4O4.
What is the molecular weight of 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
The molecular weight of 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione is 456.04 g/mol.
Where can I buy 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
You can request a quote for 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-bromophenyl)-2-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.