![5-Boc-octahydro-pyrrolo[3,4-c]pyridine structure](/static/products/3513/351370-99-5.webp)
5-Boc-octahydro-pyrrolo[3,4-c]pyridine
TL;DR: 5-Boc-octahydro-pyrrolo[3,4-c]pyridine (CAS 351370-99-5) is a chemical compound with molecular formula C12H22N2O2 and molecular weight 226.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxylate
Also Known As: 5-Boc-octahydro-pyrrolo[3,4-c]pyridine, tert-butyl (3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxylate, tert-Butyl (3aS,7aR)-octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxylate, tert-butyl cis-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxylate, tert-butyl (3aS,7aR)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate
| Molecular Formula | C12H22N2O2 |
|---|---|
| Molecular Weight | 226.17 g/mol |
| LogP | 1.4628 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.16812 |
| Heavy Atoms | 16 |
| Complexity | 272.68256 |
Chemical Identifiers
| CAS Number | 351370-99-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC[C@H]2CNC[C@H]2C1 |
Product Overview
5-Boc-octahydro-pyrrolo[3,4-c]pyridine (CAS 351370-99-5), with molecular formula C12H22N2O2 and molecular weight 226.17 g/mol. IUPAC: tert-butyl (3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxylate.
Chemical Property Profile of 5-Boc-octahydro-pyrrolo[3,4-c]pyridine
Property Insights of 5-Boc-octahydro-pyrrolo[3,4-c]pyridine
The XLogP value of 1.4628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Boc-octahydro-pyrrolo[3,4-c]pyridine. With a topological polar surface area (TPSA) of 41.57 Ų, 5-Boc-octahydro-pyrrolo[3,4-c]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Boc-octahydro-pyrrolo[3,4-c]pyridine 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
Frequently Asked Questions
What is the CAS number of 5-Boc-octahydro-pyrrolo[3,4-c]pyridine?
The CAS number of 5-Boc-octahydro-pyrrolo[3,4-c]pyridine is 351370-99-5.
What is the molecular formula of 5-Boc-octahydro-pyrrolo[3,4-c]pyridine?
The molecular formula of 5-Boc-octahydro-pyrrolo[3,4-c]pyridine is C12H22N2O2.
What is the molecular weight of 5-Boc-octahydro-pyrrolo[3,4-c]pyridine?
The molecular weight of 5-Boc-octahydro-pyrrolo[3,4-c]pyridine is 226.17 g/mol.
Where can I buy 5-Boc-octahydro-pyrrolo[3,4-c]pyridine?
You can request a quote for 5-Boc-octahydro-pyrrolo[3,4-c]pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Boc-octahydro-pyrrolo[3,4-c]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Boc-octahydro-pyrrolo[3,4-c]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.