N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide
TL;DR: N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide (CAS 391876-80-5) is a chemical compound with molecular formula C23H22N2O3S and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
Also Known As: VU0488377-1, AB01281583-01, N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide, N-benzyl-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide, F0473-0309
| Molecular Formula | C23H22N2O3S |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 3.3636 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1351 |
| Heavy Atoms | 29 |
| Complexity | 1110.3746 |
Chemical Identifiers
| CAS Number | 391876-80-5 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 |
Product Overview
N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide (CAS 391876-80-5), with molecular formula C23H22N2O3S and molecular weight 406.14 g/mol. IUPAC: N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide.
Chemical Property Profile of N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide
Property Insights of N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide
The XLogP value of 3.3636 indicates that N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide. Following Lipinski's Rule of Five, N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide has 1 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 N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide?
The CAS number of N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide is 391876-80-5.
What is the molecular formula of N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide?
The molecular formula of N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide is C23H22N2O3S.
What is the molecular weight of N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide?
The molecular weight of N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide is 406.14 g/mol.
Where can I buy N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide?
You can request a quote for N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.