N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
TL;DR: N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide (CAS 883962-48-9) is a chemical compound with molecular formula C21H22ClN5O3 and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
Also Known As: N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide, N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide, N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
| Molecular Formula | C21H22ClN5O3 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 2.9347 |
| Topological Polar Surface Area | 81.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.1411 |
| Heavy Atoms | 30 |
| Complexity | 1055.0454 |
Chemical Identifiers
| CAS Number | 883962-48-9 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)CC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4)OC |
Product Overview
N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide (CAS 883962-48-9), with molecular formula C21H22ClN5O3 and molecular weight 427.14 g/mol. IUPAC: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
Chemical Property Profile of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Property Insights of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
The XLogP value of 2.9347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide. The TPSA of 81.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide. Following Lipinski's Rule of Five, N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide has 1 hydrogen bond donor(s) and 6 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-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide?
The CAS number of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide is 883962-48-9.
What is the molecular formula of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide?
The molecular formula of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide is C21H22ClN5O3.
What is the molecular weight of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide?
The molecular weight of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide is 427.14 g/mol.
Where can I buy N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide?
You can request a quote for N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.