RefChem:879185
TL;DR: RefChem:879185 (CAS 186201-89-8) 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 (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
Also Known As: (4aR,7aR)-tert-Butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate, tert-butyl (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate, (4aR,7aR)-rel-tert-Butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate, 1H-Pyrrolo[3,4-b]pyridine-1-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, (4aR,7aR)-rel-, tert-Butyl cis-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
| Molecular Formula | C12H22N2O2 |
|---|---|
| Molecular Weight | 226.17 g/mol |
| LogP | 1.6053 |
| 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 | 186201-89-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1CNC2 |
Product Overview
RefChem:879185 (CAS 186201-89-8), with molecular formula C12H22N2O2 and molecular weight 226.17 g/mol. IUPAC: tert-butyl (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate.
Chemical Property Profile of RefChem:879185
Property Insights of RefChem:879185
The XLogP value of 1.6053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:879185. With a topological polar surface area (TPSA) of 41.57 Ų, RefChem:879185 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:879185 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 RefChem:879185?
The CAS number of RefChem:879185 is 186201-89-8.
What is the molecular formula of RefChem:879185?
The molecular formula of RefChem:879185 is C12H22N2O2.
What is the molecular weight of RefChem:879185?
The molecular weight of RefChem:879185 is 226.17 g/mol.
Where can I buy RefChem:879185?
You can request a quote for RefChem:879185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:879185?
Yes, KEHONG BIO provides custom synthesis services for RefChem:879185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.