![2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone structure](/static/products/3184/31844-13-0.webp)
2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone
TL;DR: 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone (CAS 31844-13-0) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,12-diethyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
Also Known As: 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone, 5,12-Diethyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 31844-13-0 |
|---|---|
| SMILES | CCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)CC |
| InChIKey | RDEMDBDIXPLMCE-UHFFFAOYSA-N |
Product Overview
2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone (CAS 31844-13-0), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: 5,12-diethyl-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone.
Chemical Property Profile of 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone
Property Insights of 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone
The XLogP value of -0.3 indicates that 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone. Following Lipinski's Rule of Five, 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone has 0 hydrogen bond donor(s) and 4 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 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone?
The CAS number of 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone is 31844-13-0.
What is the molecular formula of 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone?
The molecular formula of 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone is C18H20N2O4.
What is the molecular weight of 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone?
The molecular weight of 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone is 328.14 g/mol.
Where can I buy 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone?
You can request a quote for 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diethyloctahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.