![N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide structure](/static/products/6938/693814-64-1.webp)
N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide
TL;DR: N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide (CAS 693814-64-1) is a chemical compound with molecular formula C28H31N3O2 and molecular weight 441.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzamide
Also Known As: N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide, N-butan-2-yl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzamide, N-[2-(butan-2-ylcarbamoyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
| Molecular Formula | C28H31N3O2 |
|---|---|
| Molecular Weight | 441.24 g/mol |
| LogP | 5.0255 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.24164 |
| Heavy Atoms | 33 |
| Complexity | 1123.9962 |
Chemical Identifiers
| CAS Number | 693814-64-1 |
|---|---|
| SMILES | CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 |
Product Overview
N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide (CAS 693814-64-1), with molecular formula C28H31N3O2 and molecular weight 441.24 g/mol. IUPAC: N-butan-2-yl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzamide.
Chemical Property Profile of N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide
Property Insights of N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide
The XLogP value of 5.0255 indicates that N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)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 N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide. Following Lipinski's Rule of Five, N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide?
The CAS number of N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide is 693814-64-1.
What is the molecular formula of N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide?
The molecular formula of N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide is C28H31N3O2.
What is the molecular weight of N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide?
The molecular weight of N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide is 441.24 g/mol.
Where can I buy N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide?
You can request a quote for N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(butan-2-yl)-2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.