![2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione structure](/static/products/100/1008237-50-0.png)
2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
TL;DR: 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione (CAS 1008237-50-0) is a chemical compound with molecular formula C22H22FN3O2 and molecular weight 379.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethylphenyl)-7-(4-fluorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C22H22FN3O2 |
|---|---|
| Molecular Weight | 379.17 g/mol |
| LogP | 2.97814 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.16962 |
| Heavy Atoms | 28 |
| Complexity | 974.2472 |
Chemical Identifiers
| CAS Number | 1008237-50-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=C(C=C5)F)C |
Product Overview
2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione (CAS 1008237-50-0), with molecular formula C22H22FN3O2 and molecular weight 379.17 g/mol. IUPAC: 4-(3,4-dimethylphenyl)-7-(4-fluorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
Property Insights of 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
The XLogP value of 2.97814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 43.86 Ų, 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione has 0 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 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
The CAS number of 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione is 1008237-50-0.
What is the molecular formula of 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
The molecular formula of 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione is C22H22FN3O2.
What is the molecular weight of 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
The molecular weight of 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione is 379.17 g/mol.
Where can I buy 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
You can request a quote for 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)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 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dimethylphenyl)-9-(4-fluorophenyl)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.