![(3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone structure](/static/products/1005/1005125-07-4.webp)
(3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone
TL;DR: (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone (CAS 1005125-07-4) is a chemical compound with molecular formula C32H34N2O8 and molecular weight 574.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,10-bis[2-(3,4-dimethoxyphenyl)ethyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
Also Known As: (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone, 2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone, 2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]hexahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone, 4,10-bis[2-(3,4-dimethoxyphenyl)ethyl]-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetrone
| Molecular Formula | C32H34N2O8 |
|---|---|
| Molecular Weight | 574.23 g/mol |
| LogP | 2.5244 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 574.2315 |
| Heavy Atoms | 42 |
| Complexity | 1331.3541 |
Chemical Identifiers
| CAS Number | 1005125-07-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)CCC6=CC(=C(C=C6)OC)OC)OC |
Product Overview
(3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone (CAS 1005125-07-4), with molecular formula C32H34N2O8 and molecular weight 574.23 g/mol. IUPAC: 4,10-bis[2-(3,4-dimethoxyphenyl)ethyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone.
Chemical Property Profile of (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone
Property Insights of (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone
The XLogP value of 2.5244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone. Following Lipinski's Rule of Five, (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone has 0 hydrogen bond donor(s) and 8 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)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone?
The CAS number of (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone is 1005125-07-4.
What is the molecular formula of (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone?
The molecular formula of (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone is C32H34N2O8.
What is the molecular weight of (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone?
The molecular weight of (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone is 574.23 g/mol.
Where can I buy (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone?
You can request a quote for (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone 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)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4R,8S,8aS)-2,6-bis(3,4-dimethoxyphenethyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.