![ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate structure](/static/products/4743/474302-79-9.webp)
ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
TL;DR: ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 474302-79-9) is a chemical compound with molecular formula C20H16BrN3O4 and molecular weight 441.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 5-(4-bromophenyl)-1,3a,4,5,6,6a-hexahydro-4,6-dioxo-1-phenyl-, ethyl ester
| Molecular Formula | C20H16BrN3O4 |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | 2.7464 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.0324 |
| Heavy Atoms | 28 |
| Complexity | 974.70514 |
Chemical Identifiers
| CAS Number | 474302-79-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4 |
Product Overview
ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 474302-79-9), with molecular formula C20H16BrN3O4 and molecular weight 441.03 g/mol. IUPAC: ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Property Insights of ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
The XLogP value of 2.7464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate 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 ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The CAS number of ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 474302-79-9.
What is the molecular formula of ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular formula of ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is C20H16BrN3O4.
What is the molecular weight of ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
The molecular weight of ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate is 441.03 g/mol.
Where can I buy ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
You can request a quote for ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-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 ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-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.