![isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate structure](/static/products/113/113557-90-7.png)
isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate
TL;DR: isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate (CAS 113557-90-7) is a chemical compound with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzoate
Also Known As: isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate, propan-2-yl 2-[(6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoate, propan-2-yl 2-[(6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzoate
| Molecular Formula | C21H18N4O3 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 3.5515 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.13788 |
| Heavy Atoms | 28 |
| Complexity | 1247.3195 |
Chemical Identifiers
| CAS Number | 113557-90-7 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC=C1NC2=NC3=NC4=CC=CC=C4C(=O)N3C=C2 |
Product Overview
isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate (CAS 113557-90-7), with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol. IUPAC: propan-2-yl 2-[(6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]benzoate.
Chemical Property Profile of isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate
Property Insights of isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate
The XLogP value of 3.5515 indicates that isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate. Following Lipinski's Rule of Five, isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate has 1 hydrogen bond donor(s) and 6 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 isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate?
The CAS number of isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate is 113557-90-7.
What is the molecular formula of isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate?
The molecular formula of isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate is C21H18N4O3.
What is the molecular weight of isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate?
The molecular weight of isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate is 374.14 g/mol.
Where can I buy isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate?
You can request a quote for isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-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 isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-((6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.