![ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate structure](/static/products/4591/4591-05-3.webp)
ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
TL;DR: ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate (CAS 4591-05-3) is a chemical compound with molecular formula C21H19BrN2O4 and molecular weight 442.05 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-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate
Also Known As: ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate, Ethyl 3-(4-bromophenyl)-2,4-dioxo-8-phenyl-3,7-diazabicyclo[3.3.0]octane-6-carboxylate, ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate
| Molecular Formula | C21H19BrN2O4 |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 2.8309 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.05283 |
| Heavy Atoms | 28 |
| Complexity | 915.76263 |
Chemical Identifiers
| CAS Number | 4591-05-3 |
|---|---|
| SMILES | CCOC(=O)C1C2C(C(N1)C3=CC=CC=C3)C(=O)N(C2=O)C4=CC=C(C=C4)Br |
Product Overview
ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate (CAS 4591-05-3), with molecular formula C21H19BrN2O4 and molecular weight 442.05 g/mol. IUPAC: ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Property Insights of ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
The XLogP value of 2.8309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate has 1 hydrogen bond donor(s) and 5 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-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate?
The CAS number of ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate is 4591-05-3.
What is the molecular formula of ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate?
The molecular formula of ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate is C21H19BrN2O4.
What is the molecular weight of ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate?
The molecular weight of ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate is 442.05 g/mol.
Where can I buy ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate?
You can request a quote for ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-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-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(4-bromophenyl)-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.