Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate
TL;DR: Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate (CAS 5350-67-4) is a chemical compound with molecular formula C13H13ClN2O3 and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)acetate
Also Known As: Ethyl 2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate, 6-Chloro-2-methyl-4-oxo-3(4H)-quinazolineacetic acid ethyl ester, ethyl 2-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)acetate, ethyl(6-chloro-2-methyl-4-oxoquinazolin-3(4h)-yl)acetate, Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate
| Molecular Formula | C13H13ClN2O3 |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.06146 |
| Heavy Atoms | 19 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 5350-67-4 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2)Cl)C |
| InChIKey | JBXJYVVHWZCMMN-UHFFFAOYSA-N |
Product Overview
Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate (CAS 5350-67-4), with molecular formula C13H13ClN2O3 and molecular weight 280.06 g/mol. IUPAC: ethyl 2-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)acetate.
Chemical Property Profile of Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate
Property Insights of Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate. With a topological polar surface area (TPSA) of 59.0 Ų, Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (6-chloro-2-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 Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate?
The CAS number of Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate is 5350-67-4.
What is the molecular formula of Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate?
The molecular formula of Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate is C13H13ClN2O3.
What is the molecular weight of Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate?
The molecular weight of Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate is 280.06 g/mol.
Where can I buy Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate?
You can request a quote for Ethyl (6-chloro-2-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 Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.