2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one
TL;DR: 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one (CAS 26621-01-2) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-6,8a,9,12,12a,12b-hexahydro-5H-isoindolo[1,2-a]isoquinolin-8-one
Also Known As: 2,3-Dimethoxy-5,6,8a,9,12,12a-hexahydroisoindolo[1,2-a]isoquinolin-8(12bH)-one, 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one, 2,3-dimethoxy-5,8a,9,12,12a,12b-hexahydroisoindolo[1,2-a]isoquinolin-8(6H)-one, 2,3-dimethoxy-6,8a,9,12,12a,12b-hexahydro-5H-isoindolo[1,2-a]isoquinolin-8-one, 4,5-dimethoxy-10-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,14-tetraen-11-one
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 2.7256 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 651.9775 |
Chemical Identifiers
| CAS Number | 26621-01-2 |
|---|---|
| SMILES | COC1=C(C=C2C3C4CC=CCC4C(=O)N3CCC2=C1)OC |
Product Overview
2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one (CAS 26621-01-2), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: 2,3-dimethoxy-6,8a,9,12,12a,12b-hexahydro-5H-isoindolo[1,2-a]isoquinolin-8-one.
Chemical Property Profile of 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one
Property Insights of 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one
The XLogP value of 2.7256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one. With a topological polar surface area (TPSA) of 38.77 Ų, 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one has 0 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 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one?
The CAS number of 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one is 26621-01-2.
What is the molecular formula of 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one?
The molecular formula of 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one is C18H21NO3.
What is the molecular weight of 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one?
The molecular weight of 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one is 299.15 g/mol.
Where can I buy 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one?
You can request a quote for 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethoxy-5,6,8,8A,9,12,12A,12B-octahydro-isoindolo(1,2-B)isoquinolin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.