![(4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine structure](/static/products/1615/161594-54-3.webp)
(4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
TL;DR: (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CAS 161594-54-3) is a chemical compound with molecular formula C14H20N2 and molecular weight 216.16264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
Also Known As: Moxifloxacin Impurity 41, (4aR,7aR)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine, (4aR,7aR)-octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine, Moxifloxacin Impurity 115, cis-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine
Technical Specifications
| Molecular Formula | C14H20N2 |
| Molecular Weight | 216.16264 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.16264 Da |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
| SMILES | C1C[C@@H]2CN(C[C@@H]2NC1)CC3=CC=CC=C3 |
| InChIKey | AFYZAHZKOFBVLE-KGLIPLIRSA-N |
Chemical Property Profile of (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
Property Insights of (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine. With a topological polar surface area (TPSA) of 15.3 Ų, (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine 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
What is the CAS number of (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The CAS number of (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is 161594-54-3.
What is the molecular formula of (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The molecular formula of (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is C14H20N2.
What is the molecular weight of (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The molecular weight of (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is 216.16264 g/mol.
Where can I buy (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
You can request a quote for (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
Yes, CoreyChem provides custom synthesis services for (4aR,7aR)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.