C20H16ClFN4O4
TL;DR: C20H16ClFN4O4 (CAS 1005057-89-5) is a chemical compound with molecular formula C20H16ClFN4O4 and molecular weight 430.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chloro-3-nitrophenyl)-7-(4-fluorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: 2-(4-chloro-3-nitrophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 2-(4-chloro-3-nitrophenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, C20H16ClFN4O4
Technical Specifications
| Molecular Formula | C20H16ClFN4O4 |
| Molecular Weight | 430.0844 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.0844 Da |
| Heavy Atoms | 30 |
| Complexity | 743.0 |
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C5=CC=C(C=C5)F |
| InChIKey | TTXAYVNAUGHDQE-UHFFFAOYSA-N |
Chemical Property Profile of C20H16ClFN4O4
Property Insights of C20H16ClFN4O4
The XLogP value of 3.1 indicates that C20H16ClFN4O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H16ClFN4O4. Following Lipinski's Rule of Five, C20H16ClFN4O4 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C20H16ClFN4O4?
The CAS number of C20H16ClFN4O4 is 1005057-89-5.
What is the molecular formula of C20H16ClFN4O4?
The molecular formula of C20H16ClFN4O4 is C20H16ClFN4O4.
What is the molecular weight of C20H16ClFN4O4?
The molecular weight of C20H16ClFN4O4 is 430.0844 g/mol.
Where can I buy C20H16ClFN4O4?
You can request a quote for C20H16ClFN4O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H16ClFN4O4?
Yes, CoreyChem provides custom synthesis services for C20H16ClFN4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.