Ro 22-3439
TL;DR: Ro 22-3439 (CAS 101701-35-3) is a chemical compound with molecular formula C14H20N2O and molecular weight 232.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,8aS)-3-ethyl-2-methyl-1,4a,5,6,7,8,8a,9-octahydropyrrolo[2,3-g]isoquinolin-4-one
Also Known As: Ro 22-3439, 4H-Pyrrolo(2,3-g)isoquinolin-4-one, 3-ethyl-1,4a,5,6,7,8,8a,9-octahydro-2-methyl-, trans-, (4aS,8aS)-3-ethyl-2-methyl-1,4a,5,6,7,8,8a,9-octahydropyrrolo[2,3-g]isoquinolin-4-one, 3-Ethyl-2-methyl-1,4a,5,6,7,8,8a,9-octahydro-4H-pyrrolo[2,3-g]isoquinolin-4-one, (4aS,8aS)-3-Ethyl-2-methyl-1,4a,5,6,7,8,8a,9-octahydro-4H-pyrrolo[2,3-g]isoquinolin-4-one
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20N2O |
| Molecular Weight | 232.15756 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 44.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.15756 Da |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
| SMILES | CCC1=C(NC2=C1C(=O)[C@@H]3CNCC[C@H]3C2)C |
| InChIKey | OIPARUNOKIPYON-GXSJLCMTSA-N |
Chemical Property Profile of Ro 22-3439
Property Insights of Ro 22-3439
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 22-3439. With a topological polar surface area (TPSA) of 44.9 Ų, Ro 22-3439 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 22-3439 has 2 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 Ro 22-3439?
The CAS number of Ro 22-3439 is 101701-35-3.
What is the molecular formula of Ro 22-3439?
The molecular formula of Ro 22-3439 is C14H20N2O.
What is the molecular weight of Ro 22-3439?
The molecular weight of Ro 22-3439 is 232.15756 g/mol.
Where can I buy Ro 22-3439?
You can request a quote for Ro 22-3439 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 22-3439?
Yes, CoreyChem provides custom synthesis services for Ro 22-3439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.