2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 329940-04-7) is a chemical compound with molecular formula C16H13N3O5 and molecular weight 327.09 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-(3,5-dinitrophenyl)methanone
Also Known As: BAS 00623632, 2-(3,5-DINITROBENZOYL)-1,2,3,4-TETRAHYDROISOQUINOLINE, 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dinitrophenyl)methanone, 2-{3,5-bisnitrobenzoyl}-1,2,3,4-tetrahydroisoquinoline, 3,5-dinitrophenyl 2-1,2,3,4-tetrahydroisoquinolyl ketone
| Molecular Formula | C16H13N3O5 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 2.7015 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.0855 |
| Heavy Atoms | 24 |
| Complexity | 817.10657 |
Chemical Identifiers
| CAS Number | 329940-04-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 329940-04-7), with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dinitrophenyl)methanone.
Chemical Property Profile of 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.7015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline 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 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline is 329940-04-7.
What is the molecular formula of 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline is C16H13N3O5.
What is the molecular weight of 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline is 327.09 g/mol.
Where can I buy 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(3,5-Dinitrobenzoyl)-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-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dinitrobenzoyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.