3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone
TL;DR: 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone (CAS 326023-52-3) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isoquinolin-2-yl-(5-nitrofuran-2-yl)methanone
Also Known As: 3,4-dihydro-1H-isoquinolin-2-yl-(5-nitrofuran-2-yl)methanone, 5-nitro(2-furyl) 2-1,2,3,4-tetrahydroisoquinolyl ketone, 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone, 2-(5-NITROFURAN-2-CARBONYL)-3,4-DIHYDRO-1H-ISOQUINOLINE, 3,4-DIHYDRO-2(1H)-ISOQUINOLINYL(5-NITRO-2-FURYL)METHANONE
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.3863 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 677.31836 |
Chemical Identifiers
| CAS Number | 326023-52-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(O3)[N+](=O)[O-] |
Product Overview
3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone (CAS 326023-52-3), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-(5-nitrofuran-2-yl)methanone.
Chemical Property Profile of 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone
Property Insights of 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone
The XLogP value of 2.3863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone. The TPSA of 76.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone. Following Lipinski's Rule of Five, 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone has 0 hydrogen bond donor(s) and 4 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 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone?
The CAS number of 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone is 326023-52-3.
What is the molecular formula of 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone?
The molecular formula of 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone is C14H12N2O4.
What is the molecular weight of 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone?
The molecular weight of 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone is 272.08 g/mol.
Where can I buy 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone?
You can request a quote for 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydroisoquinolin-2(1H)-yl(5-nitrofuran-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.