octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide
TL;DR: octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide (CAS 122629-20-3) is a chemical compound with molecular formula C11H20INO and molecular weight 309.05896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one;iodomethane
Also Known As: Omt-isoquinolone methiodide, Octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide, (4aR,8aS)-2-Methyloctahydroisoquinolin-5(1H)-one--iodomethane (1/1), (4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one; iodomethane, (4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one;iodomethane
Technical Specifications
| Molecular Formula | C11H20INO |
| Molecular Weight | 309.05896 g/mol |
| XLogP | 2.3585 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.05896 Da |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
| SMILES | CN1CC[C@@H]2[C@@H](C1)CCCC2=O.CI |
| InChIKey | GRLWEFQPKDRHFC-VTLYIQCISA-N |
Chemical Property Profile of octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide
Property Insights of octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide
The XLogP value of 2.3585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide. With a topological polar surface area (TPSA) of 20.3 Ų, octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide?
The CAS number of octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide is 122629-20-3.
What is the molecular formula of octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide?
The molecular formula of octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide is C11H20INO.
What is the molecular weight of octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide?
The molecular weight of octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide is 309.05896 g/mol.
Where can I buy octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide?
You can request a quote for octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide?
Yes, CoreyChem provides custom synthesis services for octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.