1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid
TL;DR: 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid (CAS 34330-05-7) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid
Also Known As: AS-823-19, 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid, 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic Acid, 4-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)butanoic acid, F0916-4539
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 1.92389 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 702.27014 |
Chemical Identifiers
| CAS Number | 34330-05-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)O |
Product Overview
1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid (CAS 34330-05-7), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid.
Chemical Property Profile of 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid
Property Insights of 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid
The XLogP value of 1.92389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid. Following Lipinski's Rule of Five, 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic 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 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid?
The CAS number of 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid is 34330-05-7.
What is the molecular formula of 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid?
The molecular formula of 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid is C12H12N2O3S.
What is the molecular weight of 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid?
The molecular weight of 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid is 264.06 g/mol.
Where can I buy 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid?
You can request a quote for 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.