(S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
TL;DR: (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide (CAS 149182-72-9) 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.
(3S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Also Known As: Ticc, (S)-N-(tert-Butyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, EC 414-600-9, (3S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, J1.853.896B
| 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 | 149182-72-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1CC2=CC=CC=C2CN1 |
| InChIKey | DMJXRYSGXCLCFP-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide (CAS 149182-72-9), with molecular formula C14H20N2O and molecular weight 232.16 g/mol. IUPAC: (3S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
Chemical Property Profile of (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
Property Insights of (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide. With a topological polar surface area (TPSA) of 41.1 Ų, (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide 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 (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide?
The CAS number of (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide is 149182-72-9.
What is the molecular formula of (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide?
The molecular formula of (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide is C14H20N2O.
What is the molecular weight of (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide?
The molecular weight of (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide is 232.16 g/mol.
Where can I buy (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide?
You can request a quote for (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.