![methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate structure](/static/products/459/459147-55-8.png)
methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
TL;DR: methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 459147-55-8) is a chemical compound with molecular formula C14H12FN3O4 and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C14H12FN3O4 |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 0.206 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.08118 |
| Heavy Atoms | 22 |
| Complexity | 715.30304 |
Chemical Identifiers
| CAS Number | 459147-55-8 |
|---|---|
| SMILES | CC12C(C(=NN1)C(=O)OC)C(=O)N(C2=O)C3=CC=C(C=C3)F |
Product Overview
methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 459147-55-8), with molecular formula C14H12FN3O4 and molecular weight 305.08 g/mol. IUPAC: methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Property Insights of methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
The XLogP value of 0.206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate has 1 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 methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The CAS number of methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 459147-55-8.
What is the molecular formula of methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular formula of methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is C14H12FN3O4.
What is the molecular weight of methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular weight of methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 305.08 g/mol.
Where can I buy methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
You can request a quote for methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(4-fluorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.