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Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
TL;DR: Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate (CAS 312505-85-4) is a chemical compound with molecular formula C22H16ClFN2O3 and molecular weight 410.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
Also Known As: A1922/0080846, methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]benzoate, methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate, methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydro-2-quinazolinyl]benzoate, methyl 4-(3-(3-chloro-4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)benzoate
| Molecular Formula | C22H16ClFN2O3 |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 5.0368 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.08334 |
| Heavy Atoms | 29 |
| Complexity | 1101.4664 |
Chemical Identifiers
| CAS Number | 312505-85-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl |
Product Overview
Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate (CAS 312505-85-4), with molecular formula C22H16ClFN2O3 and molecular weight 410.08 g/mol. IUPAC: methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate.
Chemical Property Profile of Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
Property Insights of Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
The XLogP value of 5.0368 indicates that Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate?
The CAS number of Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate is 312505-85-4.
What is the molecular formula of Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate?
The molecular formula of Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate is C22H16ClFN2O3.
What is the molecular weight of Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate?
The molecular weight of Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate is 410.08 g/mol.
Where can I buy Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate?
You can request a quote for Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]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-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.