(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid
TL;DR: (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid (CAS 30530-97-3) is a chemical compound with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetic acid
Also Known As: BAS 01846269, (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid, BIM-0002328.P001, 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetic acid, 2-((4-Oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio)acetic acid
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 30530-97-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)O |
| InChIKey | LJQFFYVRMYCNFX-UHFFFAOYSA-N |
Product Overview
(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid (CAS 30530-97-3), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetic acid.
Chemical Property Profile of (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid
Property Insights of (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-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
Frequently Asked Questions
What is the CAS number of (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
The CAS number of (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid is 30530-97-3.
What is the molecular formula of (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
The molecular formula of (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid is C16H12N2O3S.
What is the molecular weight of (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
The molecular weight of (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid is 312.06 g/mol.
Where can I buy (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
You can request a quote for (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.