(3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide
TL;DR: (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide (CAS 136465-81-1) is a chemical compound with molecular formula C14H26N2O and molecular weight 238.20451 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4aR,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide
Also Known As: (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide, (3S,4aR,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide
Technical Specifications
| Molecular Formula | C14H26N2O |
| Molecular Weight | 238.20451 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.20451 Da |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1 |
| InChIKey | UPZBXVBPICTBDP-UTUOFQBUSA-N |
Chemical Property Profile of (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide
Property Insights of (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide. With a topological polar surface area (TPSA) of 41.1 Ų, (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide 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 (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide?
The CAS number of (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide is 136465-81-1.
What is the molecular formula of (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide?
The molecular formula of (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide is C14H26N2O.
What is the molecular weight of (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide?
The molecular weight of (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide is 238.20451 g/mol.
Where can I buy (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide?
You can request a quote for (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for (3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.