4N-754
TL;DR: 4N-754 (CAS 318256-36-9) is a chemical compound with molecular formula C22H23F3N2O2 and molecular weight 404.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: 4N-754, N-(tert-butyl)-2-[3-(trifluoromethyl)benzoyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide, N-tert-butyl-2-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide, N-tert-butyl-2-[3-(trifluoromethyl)benzoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
| Molecular Formula | C22H23F3N2O2 |
|---|---|
| Molecular Weight | 404.17 g/mol |
| LogP | 4.1872 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.17117 |
| Heavy Atoms | 29 |
| Complexity | 932.14 |
Chemical Identifiers
| CAS Number | 318256-36-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
4N-754 (CAS 318256-36-9), with molecular formula C22H23F3N2O2 and molecular weight 404.17 g/mol. IUPAC: N-tert-butyl-2-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of 4N-754
Property Insights of 4N-754
The XLogP value of 4.1872 indicates that 4N-754 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 4N-754 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4N-754 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 4N-754?
The CAS number of 4N-754 is 318256-36-9.
What is the molecular formula of 4N-754?
The molecular formula of 4N-754 is C22H23F3N2O2.
What is the molecular weight of 4N-754?
The molecular weight of 4N-754 is 404.17 g/mol.
Where can I buy 4N-754?
You can request a quote for 4N-754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-754?
Yes, KEHONG BIO provides custom synthesis services for 4N-754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.