2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide
TL;DR: 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide (CAS 869474-87-3) is a chemical compound with molecular formula C26H27N3O2 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
Also Known As: EX-A6874, gp120-a4beta7 binding inhibitor 11, gp120-, A4, A7 binding inhibitor 11
| Molecular Formula | C26H27N3O2 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 3.92182 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.21033 |
| Heavy Atoms | 31 |
| Complexity | 1076.02 |
Chemical Identifiers
| CAS Number | 869474-87-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CN3CCC4=CC=CC=C4C3 |
Product Overview
2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide (CAS 869474-87-3), with molecular formula C26H27N3O2 and molecular weight 413.21 g/mol. IUPAC: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.
Chemical Property Profile of 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide
Property Insights of 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide
The XLogP value of 3.92182 indicates that 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide. Following Lipinski's Rule of Five, 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide has 2 hydrogen bond donor(s) and 3 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 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide?
The CAS number of 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide is 869474-87-3.
What is the molecular formula of 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide?
The molecular formula of 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide is C26H27N3O2.
What is the molecular weight of 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide?
The molecular weight of 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide is 413.21 g/mol.
Where can I buy 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide?
You can request a quote for 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)acetamido)-N-(4-methylbenzyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.