N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
TL;DR: N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide (CAS 333358-00-2) is a chemical compound with molecular formula C21H26N2O and molecular weight 322.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
Also Known As: BAS 00794492, AB00094606-01, N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide, N-(tert-butyl)-4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)benzamide, N-tert-Butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-benzamide
| Molecular Formula | C21H26N2O |
|---|---|
| Molecular Weight | 322.20 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.2045 |
| Heavy Atoms | 24 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 333358-00-2 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 |
| InChIKey | IGNLFCPWSGNRIH-UHFFFAOYSA-N |
Product Overview
N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide (CAS 333358-00-2), with molecular formula C21H26N2O and molecular weight 322.20 g/mol. IUPAC: N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide.
Chemical Property Profile of N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
Property Insights of N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
The XLogP value of 3.5 indicates that N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide 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-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The CAS number of N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is 333358-00-2.
What is the molecular formula of N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The molecular formula of N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is C21H26N2O.
What is the molecular weight of N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
The molecular weight of N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide is 322.20 g/mol.
Where can I buy N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
You can request a quote for N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide 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-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.