Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate
TL;DR: Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate (CAS 690686-87-4) is a chemical compound with molecular formula C22H16FN3O2 and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]benzoate
Also Known As: methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate, methyl 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]benzoate, methyl 4-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}benzoate
| Molecular Formula | C22H16FN3O2 |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 4.9661 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.12265 |
| Heavy Atoms | 28 |
| Complexity | 1160.0076 |
Chemical Identifiers
| CAS Number | 690686-87-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4F |
Product Overview
Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate (CAS 690686-87-4), with molecular formula C22H16FN3O2 and molecular weight 373.12 g/mol. IUPAC: methyl 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]benzoate.
Chemical Property Profile of Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate
Property Insights of Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate
The XLogP value of 4.9661 indicates that Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate has 1 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 Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate?
The CAS number of Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate is 690686-87-4.
What is the molecular formula of Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate?
The molecular formula of Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate is C22H16FN3O2.
What is the molecular weight of Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate?
The molecular weight of Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate is 373.12 g/mol.
Where can I buy Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate?
You can request a quote for Methyl 4-((2-(2-fluorophenyl)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 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((2-(2-fluorophenyl)quinazolin-4-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.