![7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one structure](/static/products/3539/35396-08-8.webp)
7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one
TL;DR: 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one (CAS 35396-08-8) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydrobenzo[e]isoindol-3-one
Also Known As: 7,8-dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one, 7,8-dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydrobenzo[e]isoindol-3-one, 7,8-dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydrobenzo[e]isoind, 7,8-dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-benzo[e]isoindol-3-one
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 35396-08-8 |
|---|---|
| SMILES | COC1=C(C=C2C3CNC(=O)C3C(CC2=C1)C4=CC=CC=C4)OC |
| InChIKey | SAJGXCJTYSNGJN-UHFFFAOYSA-N |
Product Overview
7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one (CAS 35396-08-8), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: 7,8-dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydrobenzo[e]isoindol-3-one.
Chemical Property Profile of 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one
Property Insights of 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one. With a topological polar surface area (TPSA) of 47.6 Ų, 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one has 1 hydrogen bond donor(s) and 3 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 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one?
The CAS number of 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one is 35396-08-8.
What is the molecular formula of 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one?
The molecular formula of 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one is C20H21NO3.
What is the molecular weight of 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one?
The molecular weight of 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one is 323.15 g/mol.
Where can I buy 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one?
You can request a quote for 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dimethoxy-4-phenyl-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]isoindol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.