methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate
TL;DR: methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate (CAS 552285-58-2) is a chemical compound with molecular formula C26H23ClN2O4 and molecular weight 462.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]butoxy]benzoate
Also Known As: methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate, Methyl 4-[4-[2-(4-chlorophenyl)-4-oxo-quinazolin-3-yl]butoxy]benzoate, methyl 4-[4-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]butoxy]benzoate, methyl 4-{4-[2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl]butoxy}benzoate
| Molecular Formula | C26H23ClN2O4 |
|---|---|
| Molecular Weight | 462.13 g/mol |
| LogP | 5.3627 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.13464 |
| Heavy Atoms | 33 |
| Complexity | 1315.206 |
Chemical Identifiers
| CAS Number | 552285-58-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl |
Product Overview
methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate (CAS 552285-58-2), with molecular formula C26H23ClN2O4 and molecular weight 462.13 g/mol. IUPAC: methyl 4-[4-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]butoxy]benzoate.
Chemical Property Profile of methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate
Property Insights of methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate
The XLogP value of 5.3627 indicates that methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate. Following Lipinski's Rule of Five, methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate 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 methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate?
The CAS number of methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate is 552285-58-2.
What is the molecular formula of methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate?
The molecular formula of methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate is C26H23ClN2O4.
What is the molecular weight of methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate?
The molecular weight of methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate is 462.13 g/mol.
Where can I buy methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate?
You can request a quote for methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)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-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)butoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.