2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid
TL;DR: 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid (CAS 462067-13-6) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
Also Known As: 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid, 2-[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetic acid, 2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetic Acid, 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid, (3-Ethyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid
Technical Specifications
| Molecular Formula | C12H12N2O3S |
| Molecular Weight | 264.05685 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 95.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.05685 Da |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
| SMILES | CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O |
| InChIKey | MQWZZFOYVRLVEI-UHFFFAOYSA-N |
Chemical Property Profile of 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid
Property Insights of 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid?
The CAS number of 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid is 462067-13-6.
What is the molecular formula of 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid?
The molecular formula of 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid is C12H12N2O3S.
What is the molecular weight of 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid?
The molecular weight of 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid is 264.05685 g/mol.
Where can I buy 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid?
You can request a quote for 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-((3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.