![(3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate structure](/static/products/100/1005188-82-8.png)
(3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate
TL;DR: (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate (CAS 1005188-82-8) is a chemical compound with molecular formula C33H26N2O6 and molecular weight 546.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4,10-bis(2-methylphenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate
Also Known As: (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate, phenyl 2,6-bis(2-methylphenyl)-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate
| Molecular Formula | C33H26N2O6 |
|---|---|
| Molecular Weight | 546.18 g/mol |
| LogP | 4.00644 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 546.1791 |
| Heavy Atoms | 41 |
| Complexity | 1604.981 |
Chemical Identifiers
| CAS Number | 1005188-82-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3C4C=C(C(C3C2=O)C5C4C(=O)N(C5=O)C6=CC=CC=C6C)C(=O)OC7=CC=CC=C7 |
Product Overview
(3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate (CAS 1005188-82-8), with molecular formula C33H26N2O6 and molecular weight 546.18 g/mol. IUPAC: phenyl 4,10-bis(2-methylphenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate.
Chemical Property Profile of (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate
Property Insights of (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate
The XLogP value of 4.00644 indicates that (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate. Following Lipinski's Rule of Five, (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate?
The CAS number of (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate is 1005188-82-8.
What is the molecular formula of (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate?
The molecular formula of (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate is C33H26N2O6.
What is the molecular weight of (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate?
The molecular weight of (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate is 546.18 g/mol.
Where can I buy (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate?
You can request a quote for (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4R,8S,8aS)-phenyl 1,3,5,7-tetraoxo-2,6-di-o-tolyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.