![N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide structure](/static/products/902/902313-99-9.png)
N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
TL;DR: N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide (CAS 902313-99-9) is a chemical compound with molecular formula C22H22ClN5O3 and molecular weight 439.14 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-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)acetamide
Also Known As: N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide, N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)acetamide, N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
| Molecular Formula | C22H22ClN5O3 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 3.0788 |
| Topological Polar Surface Area | 81.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.1411 |
| Heavy Atoms | 31 |
| Complexity | 1102.7759 |
Chemical Identifiers
| CAS Number | 902313-99-9 |
|---|---|
| SMILES | C1COC2=C(C=C3CN(CCC3=C2)CC(=O)NC4=C(C=CC(=C4)Cl)N5C=NC=N5)OC1 |
Product Overview
N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide (CAS 902313-99-9), with molecular formula C22H22ClN5O3 and molecular weight 439.14 g/mol. IUPAC: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)acetamide.
Chemical Property Profile of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Property Insights of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
The XLogP value of 3.0788 indicates that N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide. Following Lipinski's Rule of Five, N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-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-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide?
The CAS number of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide is 902313-99-9.
What is the molecular formula of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide?
The molecular formula of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide is C22H22ClN5O3.
What is the molecular weight of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide?
The molecular weight of N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide is 439.14 g/mol.
Where can I buy N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide?
You can request a quote for N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-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-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.