Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate
TL;DR: Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate (CAS 307540-49-4) is a chemical compound with molecular formula C23H16N2O4 and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[isoquinolin-1-yl(phenyl)methyl] 4-nitrobenzoate
Also Known As: isoquinolylphenylmethyl 4-nitrobenzoate, isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate, [isoquinolin-1-yl(phenyl)methyl] 4-nitrobenzoate, AB00709658-01, (ISOQUINOLIN-1-YL)(PHENYL)METHYL 4-NITROBENZOATE
| Molecular Formula | C23H16N2O4 |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 5.0894 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.111 |
| Heavy Atoms | 29 |
| Complexity | 1169.11 |
Chemical Identifiers
| CAS Number | 307540-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate (CAS 307540-49-4), with molecular formula C23H16N2O4 and molecular weight 384.11 g/mol. IUPAC: [isoquinolin-1-yl(phenyl)methyl] 4-nitrobenzoate.
Chemical Property Profile of Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate
Property Insights of Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate
The XLogP value of 5.0894 indicates that Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate. Following Lipinski's Rule of Five, Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate?
The CAS number of Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate is 307540-49-4.
What is the molecular formula of Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate?
The molecular formula of Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate is C23H16N2O4.
What is the molecular weight of Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate?
The molecular weight of Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate is 384.11 g/mol.
Where can I buy Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate?
You can request a quote for Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolin-1-yl(phenyl)methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.