1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
TL;DR: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone (CAS 313248-79-2) is a chemical compound with molecular formula C13H13N5O3 and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
Also Known As: BAS 00924227, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone, 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-[1,2,4]triazol-1-yl)-ethanone, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethanone, 2-({3-nitro-1H-1,2,4-triazol-1-yl}acetyl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C13H13N5O3 |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.10184 |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 313248-79-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CN3C=NC(=N3)[N+](=O)[O-] |
| InChIKey | WZLPFDQQFLAJME-UHFFFAOYSA-N |
Product Overview
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone (CAS 313248-79-2), with molecular formula C13H13N5O3 and molecular weight 287.10 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone.
Chemical Property Profile of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
Property Insights of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone has 0 hydrogen bond donor(s) and 5 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 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
The CAS number of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone is 313248-79-2.
What is the molecular formula of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
The molecular formula of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone is C13H13N5O3.
What is the molecular weight of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
The molecular weight of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone is 287.10 g/mol.
Where can I buy 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
You can request a quote for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.