N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
TL;DR: N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CAS 127829-69-0) is a chemical compound with molecular formula C14H20N2O and molecular weight 232.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
Also Known As: N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-2-carboxamide, N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide, N-(tert-butyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide, F6541-1511
Technical Specifications
| Molecular Formula | C14H20N2O |
| Molecular Weight | 232.15756 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.15756 Da |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
| SMILES | CC(C)(C)NC(=O)N1CCC2=CC=CC=C2C1 |
| InChIKey | QFVXUFDJYHLUBA-UHFFFAOYSA-N |
Chemical Property Profile of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
Property Insights of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide. With a topological polar surface area (TPSA) of 32.3 Ų, N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The CAS number of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is 127829-69-0.
What is the molecular formula of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The molecular formula of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is C14H20N2O.
What is the molecular weight of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The molecular weight of N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is 232.15756 g/mol.
Where can I buy N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
You can request a quote for N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.