(3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
TL;DR: (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 186606-18-8) is a chemical compound with molecular formula C14H20N2O and molecular weight 232.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Also Known As: (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
| Molecular Formula | C14H20N2O |
|---|---|
| Molecular Weight | 232.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.15756 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 186606-18-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@H]1CC2=CC=CC=C2CN1 |
| InChIKey | DMJXRYSGXCLCFP-GFCCVEGCSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 186606-18-8), with molecular formula C14H20N2O and molecular weight 232.16 g/mol. IUPAC: (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
Chemical Property Profile of (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Property Insights of (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide. With a topological polar surface area (TPSA) of 41.1 Ų, (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-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
Frequently Asked Questions
What is the CAS number of (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The CAS number of (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 186606-18-8.
What is the molecular formula of (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The molecular formula of (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is C14H20N2O.
What is the molecular weight of (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The molecular weight of (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 232.16 g/mol.
Where can I buy (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
You can request a quote for (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (3R)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.