3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
TL;DR: 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid (CAS 847783-60-2) is a chemical compound with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
Also Known As: 3-ETHYL-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE-7-CARBOXYLIC ACID, 3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic Acid, 1-Ethyl-5-oxo-pyrrolidine-3-carboxylic acid, 3-ethyl-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylic acid, 3-ethyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
| Molecular Formula | C11H10N2O3S |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 1.77719 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.04121 |
| Heavy Atoms | 17 |
| Complexity | 714.7088 |
Chemical Identifiers
| CAS Number | 847783-60-2 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)NC1=S |
Product Overview
3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid (CAS 847783-60-2), with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol. IUPAC: 3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid.
Chemical Property Profile of 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Property Insights of 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
The XLogP value of 1.77719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid. Following Lipinski's Rule of Five, 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid has 2 hydrogen bond donor(s) and 3 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-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid?
The CAS number of 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid is 847783-60-2.
What is the molecular formula of 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid?
The molecular formula of 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid is C11H10N2O3S.
What is the molecular weight of 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid?
The molecular weight of 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid is 250.04 g/mol.
Where can I buy 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid?
You can request a quote for 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.