Methyl (4-oxoquinazolin-3(4H)-yl)acetate
TL;DR: Methyl (4-oxoquinazolin-3(4H)-yl)acetate (CAS 5447-11-0) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-oxoquinazolin-3-yl)acetate
Also Known As: 2,5-Dibromohexane, methyl 2-(4-oxoquinazolin-3-yl)acetate, methyl 2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetate, (4-Oxo-4H-quinazolin-3-yl)-acetic acid methyl ester, -ACETICACIDMETHYLESTER
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 5447-11-0 |
|---|---|
| SMILES | COC(=O)CN1C=NC2=CC=CC=C2C1=O |
| InChIKey | QKUMWDDGSYLSBF-UHFFFAOYSA-N |
Product Overview
Methyl (4-oxoquinazolin-3(4H)-yl)acetate (CAS 5447-11-0), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: methyl 2-(4-oxoquinazolin-3-yl)acetate.
Chemical Property Profile of Methyl (4-oxoquinazolin-3(4H)-yl)acetate
Property Insights of Methyl (4-oxoquinazolin-3(4H)-yl)acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-oxoquinazolin-3(4H)-yl)acetate. With a topological polar surface area (TPSA) of 59.0 Ų, Methyl (4-oxoquinazolin-3(4H)-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (4-oxoquinazolin-3(4H)-yl)acetate has 0 hydrogen bond donor(s) and 4 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 Methyl (4-oxoquinazolin-3(4H)-yl)acetate?
The CAS number of Methyl (4-oxoquinazolin-3(4H)-yl)acetate is 5447-11-0.
What is the molecular formula of Methyl (4-oxoquinazolin-3(4H)-yl)acetate?
The molecular formula of Methyl (4-oxoquinazolin-3(4H)-yl)acetate is C11H10N2O3.
What is the molecular weight of Methyl (4-oxoquinazolin-3(4H)-yl)acetate?
The molecular weight of Methyl (4-oxoquinazolin-3(4H)-yl)acetate is 218.07 g/mol.
Where can I buy Methyl (4-oxoquinazolin-3(4H)-yl)acetate?
You can request a quote for Methyl (4-oxoquinazolin-3(4H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-oxoquinazolin-3(4H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-oxoquinazolin-3(4H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.