3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione
TL;DR: 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione (CAS 85563-30-0) is a chemical compound with molecular formula C19H17ClN2O4 and molecular weight 372.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2,4-dioxo-1H-quinazoline-6-carboxylate
Also Known As: 3-Cedqd, ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2,4-dioxo-1H-quinazoline-6-carboxylate, 3-(2-Chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione, 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4-(1H,3H)-quinazolinedione, 6-quinazolinecarboxylic acid,3-(2-chlorophenyl)-1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-, ethyl ester
| Molecular Formula | C19H17ClN2O4 |
|---|---|
| Molecular Weight | 372.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.08768 |
| Heavy Atoms | 26 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 85563-30-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(C=C1C)NC(=O)N(C2=O)C3=CC=CC=C3Cl)C |
| InChIKey | OXCXKEZEDIDQSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione (CAS 85563-30-0), with molecular formula C19H17ClN2O4 and molecular weight 372.09 g/mol. IUPAC: ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2,4-dioxo-1H-quinazoline-6-carboxylate.
Chemical Property Profile of 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione
Property Insights of 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione
The XLogP value of 3.8 indicates that 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione 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 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione?
The CAS number of 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione is 85563-30-0.
What is the molecular formula of 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione?
The molecular formula of 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione is C19H17ClN2O4.
What is the molecular weight of 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione?
The molecular weight of 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione is 372.09 g/mol.
Where can I buy 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione?
You can request a quote for 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2,4(1H,3H)-quinazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.