Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride
TL;DR: Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride (CAS 474091-75-3) is a chemical compound with molecular formula C22H16Cl3N3O2 and molecular weight 459.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]benzoate;hydrochloride
Also Known As: Methyl 4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]benzoate Hydrochloride, methyl 4-{[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino}benzoate, chloride, methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride
| Molecular Formula | C22H16Cl3N3O2 |
|---|---|
| Molecular Weight | 459.03 g/mol |
| LogP | 6.5556 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.03082 |
| Heavy Atoms | 30 |
| Complexity | 1214.1393 |
Chemical Identifiers
| CAS Number | 474091-75-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl.Cl |
Product Overview
Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride (CAS 474091-75-3), with molecular formula C22H16Cl3N3O2 and molecular weight 459.03 g/mol. IUPAC: methyl 4-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]benzoate;hydrochloride.
Chemical Property Profile of Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride
Property Insights of Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride
The XLogP value of 6.5556 indicates that Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride 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-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride. Following Lipinski's Rule of Five, Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride has 1 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 Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride?
The CAS number of Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride is 474091-75-3.
What is the molecular formula of Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride?
The molecular formula of Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride is C22H16Cl3N3O2.
What is the molecular weight of Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride?
The molecular weight of Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride is 459.03 g/mol.
Where can I buy Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride?
You can request a quote for Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride 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-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((2-(2,4-dichlorophenyl)quinazolin-4-yl)amino)benzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.