Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-
TL;DR: Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)- (CAS 5472-76-4) is a chemical compound with molecular formula C16H15N3O3 and molecular weight 297.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzamide
Also Known As: 4-nitro-n-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzamide, 4-Nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)benzamide, Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-, 5-22-09-00471 (Beilstein Handbook Reference), Benzamide,4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-
| Molecular Formula | C16H15N3O3 |
|---|---|
| Molecular Weight | 297.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.11133 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 5472-76-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CN=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | LWHMKTKJVCNHSO-UHFFFAOYSA-N |
Product Overview
Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)- (CAS 5472-76-4), with molecular formula C16H15N3O3 and molecular weight 297.11 g/mol. IUPAC: 4-nitro-N-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzamide.
Chemical Property Profile of Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-
Property Insights of Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-
The XLogP value of 3.2 indicates that Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-. Following Lipinski's Rule of Five, Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)- has 1 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 Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-?
The CAS number of Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)- is 5472-76-4.
What is the molecular formula of Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-?
The molecular formula of Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)- is C16H15N3O3.
What is the molecular weight of Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-?
The molecular weight of Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)- is 297.11 g/mol.
Where can I buy Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-?
You can request a quote for Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.