N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
TL;DR: N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide (CAS 318517-32-7) is a chemical compound with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-(3-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: 5N-763, N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide, N-tert-butyl-2-(3-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide, 2-(3-methylbenzoyl)-N-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide, N-tert-butyl-2-(3-methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
| Molecular Formula | C22H26N2O2 |
|---|---|
| Molecular Weight | 350.20 g/mol |
| LogP | 3.47682 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.19943 |
| Heavy Atoms | 26 |
| Complexity | 836.03107 |
Chemical Identifiers
| CAS Number | 318517-32-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C)(C)C |
Product Overview
N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide (CAS 318517-32-7), with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol. IUPAC: N-tert-butyl-2-(3-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
Property Insights of N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
The XLogP value of 3.47682 indicates that N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide has 1 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 N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide?
The CAS number of N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide is 318517-32-7.
What is the molecular formula of N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide?
The molecular formula of N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide is C22H26N2O2.
What is the molecular weight of N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide?
The molecular weight of N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide is 350.20 g/mol.
Where can I buy N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide?
You can request a quote for N-(tert-butyl)-2-(3-methylbenzoyl)-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 N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-2-(3-methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.