![Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate structure](/static/products/384/384356-05-2.png)
Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate
TL;DR: Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate (CAS 384356-05-2) is a chemical compound with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(3-nitrophenyl)quinazolin-4-yl]amino]benzoate
Also Known As: methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate, methyl 3-((2-(3-nitrophenyl)quinazolin-4-yl)amino)benzoate, methyl 3-[[2-(3-nitrophenyl)quinazolin-4-yl]amino]benzoate
| Molecular Formula | C22H16N4O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 4.7352 |
| Topological Polar Surface Area | 107.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.11716 |
| Heavy Atoms | 30 |
| Complexity | 1272.9648 |
Chemical Identifiers
| CAS Number | 384356-05-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate (CAS 384356-05-2), with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol. IUPAC: methyl 3-[[2-(3-nitrophenyl)quinazolin-4-yl]amino]benzoate.
Chemical Property Profile of Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate
Property Insights of Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate
The XLogP value of 4.7352 indicates that Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate has 1 hydrogen bond donor(s) and 7 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 Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate?
The CAS number of Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate is 384356-05-2.
What is the molecular formula of Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate?
The molecular formula of Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate is C22H16N4O4.
What is the molecular weight of Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate?
The molecular weight of Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate is 400.12 g/mol.
Where can I buy Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate?
You can request a quote for Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[2-(3-nitrophenyl)quinazolin-4-yl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.