C13H9FN4O5
TL;DR: C13H9FN4O5 (CAS 1008209-38-8) is a chemical compound with molecular formula C13H9FN4O5 and molecular weight 320.0557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-(4-fluorophenyl)-1-nitroso-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: methyl 5-(4-fluorophenyl)-1-nitroso-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(4-fluorophenyl)-1-nitroso-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, C13H9FN4O5
Technical Specifications
| Molecular Formula | C13H9FN4O5 |
| Molecular Weight | 320.0557 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0557 Da |
| Heavy Atoms | 23 |
| Complexity | 601.0 |
| SMILES | COC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)F)N=O |
| InChIKey | XKHMORBPEMNJAJ-UHFFFAOYSA-N |
Chemical Property Profile of C13H9FN4O5
Property Insights of C13H9FN4O5
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H9FN4O5. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H9FN4O5. Following Lipinski's Rule of Five, C13H9FN4O5 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C13H9FN4O5?
The CAS number of C13H9FN4O5 is 1008209-38-8.
What is the molecular formula of C13H9FN4O5?
The molecular formula of C13H9FN4O5 is C13H9FN4O5.
What is the molecular weight of C13H9FN4O5?
The molecular weight of C13H9FN4O5 is 320.0557 g/mol.
Where can I buy C13H9FN4O5?
You can request a quote for C13H9FN4O5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C13H9FN4O5?
Yes, CoreyChem provides custom synthesis services for C13H9FN4O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.