![5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione structure](/static/products/6509/65094-69-1.webp)
5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione
TL;DR: 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione (CAS 65094-69-1) is a chemical compound with molecular formula C14H19NO2 and molecular weight 233.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-4,6,7,8,9,9a-hexahydro-3aH-benzo[f]isoindole-1,3-dione
Also Known As: BAS 00459070, BIM-0018995.P001, 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione, 5,5-dimethyl-4,6,7,8,9,9a-hexahydro-3aH-benzo[f]isoindole-1,3-dione, 5,5-Dimethyl-3a,4,5,6,7,8,9,9a-octahydro-benzo[f]isoindole-1,3-dione
| Molecular Formula | C14H19NO2 |
|---|---|
| Molecular Weight | 233.14 g/mol |
| LogP | 2.1757 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.14159 |
| Heavy Atoms | 17 |
| Complexity | 433.50317 |
Chemical Identifiers
| CAS Number | 65094-69-1 |
|---|---|
| SMILES | CC1(CCCC2=C1CC3C(C2)C(=O)NC3=O)C |
Product Overview
5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione (CAS 65094-69-1), with molecular formula C14H19NO2 and molecular weight 233.14 g/mol. IUPAC: 5,5-dimethyl-4,6,7,8,9,9a-hexahydro-3aH-benzo[f]isoindole-1,3-dione.
Chemical Property Profile of 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione
Property Insights of 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione
The XLogP value of 2.1757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 46.17 Ų, 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione has 1 hydrogen bond donor(s) and 2 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 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione?
The CAS number of 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione is 65094-69-1.
What is the molecular formula of 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione?
The molecular formula of 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione is C14H19NO2.
What is the molecular weight of 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione?
The molecular weight of 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione is 233.14 g/mol.
Where can I buy 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione?
You can request a quote for 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-dimethyl-3a,4,5,6,7,8,9,9a-octahydro-1H-benzo[f]isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.