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Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate
TL;DR: Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate (CAS 129939-67-9) is a chemical compound with molecular formula C15H19NO2 and molecular weight 245.14159 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate
Also Known As: benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate, Benzyl 6-azabicyclo[3.3.0]octane-7-carboxylate, benzyloctahydrocyclopenta[b]pyrrole-2-carboxylate, (1R,3S,5R)-2-Azabicyclo[3.3.0]octane-3-carboxylic Acid, Benzyl Ester, (2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate
Technical Specifications
| Molecular Formula | C15H19NO2 |
| Molecular Weight | 245.14159 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.14159 Da |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
| SMILES | C1CC2CC(NC2C1)C(=O)OCC3=CC=CC=C3 |
| InChIKey | KEDWLCOPRDSQBB-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate
Property Insights of Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 38.3 Ų, Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate 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
What is the CAS number of Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate?
The CAS number of Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate is 129939-67-9.
What is the molecular formula of Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate?
The molecular formula of Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate is C15H19NO2.
What is the molecular weight of Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate?
The molecular weight of Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate is 245.14159 g/mol.
Where can I buy Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate?
You can request a quote for Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.