3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester
TL;DR: 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester (CAS 40889-51-8) is a chemical compound with molecular formula C13H12Cl2N2O3 and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)acetate
Also Known As: 5-24-03-00196 (Beilstein Handbook Reference), 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester, 6,8-Dichloro-2-methyl-4-oxo-3(4H)-quinazolineacetic acid ethyl ester, Ethyl 2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate, 4-(3,3-diethyl-triazenyl)-benzenesulfonic acid amide
| Molecular Formula | C13H12Cl2N2O3 |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0225 |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 40889-51-8 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C(C1=O)C=C(C=C2Cl)Cl)C |
| InChIKey | NCYTZCGBTBEVTP-UHFFFAOYSA-N |
Product Overview
3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester (CAS 40889-51-8), with molecular formula C13H12Cl2N2O3 and molecular weight 314.02 g/mol. IUPAC: ethyl 2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)acetate.
Chemical Property Profile of 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester
Property Insights of 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester 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 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester?
The CAS number of 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester is 40889-51-8.
What is the molecular formula of 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester?
The molecular formula of 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester is C13H12Cl2N2O3.
What is the molecular weight of 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester?
The molecular weight of 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester is 314.02 g/mol.
Where can I buy 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester?
You can request a quote for 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.