3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid
TL;DR: 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid (CAS 451465-82-0) 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-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid
Also Known As: 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid, 3-(2-mercapto-4-oxoquinazolin-3(4H)-yl)propanoic acid, 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoic Acid, 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoic acid, 3-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]propanoic acid
| Molecular Formula | C11H10N2O3S |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 1.53379 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.04121 |
| Heavy Atoms | 17 |
| Complexity | 686.9114 |
Chemical Identifiers
| CAS Number | 451465-82-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)O |
Product Overview
3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid (CAS 451465-82-0), with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol. IUPAC: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoic acid.
Chemical Property Profile of 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid
Property Insights of 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid
The XLogP value of 1.53379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic 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-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid?
The CAS number of 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid is 451465-82-0.
What is the molecular formula of 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid?
The molecular formula of 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid is C11H10N2O3S.
What is the molecular weight of 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid?
The molecular weight of 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid is 250.04 g/mol.
Where can I buy 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid?
You can request a quote for 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.