Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate
TL;DR: Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate (CAS 112733-45-6) is a chemical compound with molecular formula C12H11ClN2O4 and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-chloro-2,4-dioxoquinazolin-1-yl)acetate
Also Known As: ethyl 2-(7-chloro-2,4-dioxoquinazolin-1-yl)acetate, J1.640.960J, ethyl 2-(7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetate, Ethyl 2-(7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate, 7-Chloro-3,4-dihydro-2,4-dioxo-1(2H)-quinazolineaceticacidethylester
| Molecular Formula | C12H11ClN2O4 |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 0.9063 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.04074 |
| Heavy Atoms | 19 |
| Complexity | 747.4583 |
Chemical Identifiers
| CAS Number | 112733-45-6 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=CC(=C2)Cl)C(=O)NC1=O |
Product Overview
Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate (CAS 112733-45-6), with molecular formula C12H11ClN2O4 and molecular weight 282.04 g/mol. IUPAC: ethyl 2-(7-chloro-2,4-dioxoquinazolin-1-yl)acetate.
Chemical Property Profile of Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate
Property Insights of Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate
The XLogP value of 0.9063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate. Following Lipinski's Rule of Five, Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate has 1 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 Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate?
The CAS number of Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate is 112733-45-6.
What is the molecular formula of Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate?
The molecular formula of Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate is C12H11ClN2O4.
What is the molecular weight of Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate?
The molecular weight of Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate is 282.04 g/mol.
Where can I buy Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate?
You can request a quote for Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.