2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline (CAS 321532-98-3) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.12 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-(3-methyl-4-nitrophenyl)methanone
Also Known As: BAS 00785278, 2-{4-nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline, 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-4-nitrophenyl)methanone, (3,4-Dihydro-1H-isoquinolin-2-yl)-(3-methyl-4-nitro-phenyl)-methanone, 3-methyl-4-nitrophenyl 2-1,2,3,4-tetrahydroisoquinolyl ketone
| Molecular Formula | C17H16N2O3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.1161 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 321532-98-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-] |
| InChIKey | WQXFRDAMGQWASF-UHFFFAOYSA-N |
Product Overview
2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline (CAS 321532-98-3), with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-4-nitrophenyl)methanone.
Chemical Property Profile of 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.1 indicates that 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline has 0 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 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline is 321532-98-3.
What is the molecular formula of 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline is C17H16N2O3.
What is the molecular weight of 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline is 296.12 g/mol.
Where can I buy 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-Nitro-3-methylbenzoyl}-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.