Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride
TL;DR: Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride (CAS 75159-43-2) is a chemical compound with molecular formula C16H20Cl2N2O5 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-oxoquinazolin-3-yl)methyl]propanedioate;dihydrochloride
Also Known As: Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride, diethyl2-[methyl]propanedioatedihydrochloride, diethyl2-[ methyl]propanedioatedihydrochloride, Propanedioic acid, ((4-oxo-3(4H)-quinazolinyl)methyl)-, diethyl ester, dihydrochloride, diethyl 2-[(4-oxoquinazolin-3-yl)methyl]propanedioate dihydrochloride
| Molecular Formula | C16H20Cl2N2O5 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 1.9825 |
| Topological Polar Surface Area | 87.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.07492 |
| Heavy Atoms | 25 |
| Complexity | 760.4543 |
Chemical Identifiers
| CAS Number | 75159-43-2 |
|---|---|
| SMILES | CCOC(=O)C(CN1C=NC2=CC=CC=C2C1=O)C(=O)OCC.Cl.Cl |
Product Overview
Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride (CAS 75159-43-2), with molecular formula C16H20Cl2N2O5 and molecular weight 390.07 g/mol. IUPAC: diethyl 2-[(4-oxoquinazolin-3-yl)methyl]propanedioate;dihydrochloride.
Chemical Property Profile of Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride
Property Insights of Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride
The XLogP value of 1.9825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride. The TPSA of 87.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride. Following Lipinski's Rule of Five, Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride has 0 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 Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride?
The CAS number of Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride is 75159-43-2.
What is the molecular formula of Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride?
The molecular formula of Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride is C16H20Cl2N2O5.
What is the molecular weight of Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride?
The molecular weight of Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride is 390.07 g/mol.
Where can I buy Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride?
You can request a quote for Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ((4-oxo-3(4H)-quinazolinyl)methyl)propanedioate dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.