6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one
TL;DR: 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one (CAS 219618-30-1) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7,8-trimethoxy-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 2-mercapto-6,7,8-trimethoxy-3-phenylquinazolin-4(3H)-one, 6,7,8-trimethoxy-3-phenyl-2-sulanylidene-1H-quinazolin-4-one, 6,7,8-trimethoxy-3-phenyl-2-sulfanyl-3-hydroquinazolin-4-one, 6,7,8-trimethoxy-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one, 6,7,8-trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 219618-30-1 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3)OC)OC |
| InChIKey | PLLQTIFRFOMLOJ-UHFFFAOYSA-N |
Product Overview
6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one (CAS 219618-30-1), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: 6,7,8-trimethoxy-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one
Property Insights of 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one. Following Lipinski's Rule of Five, 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one 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 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one?
The CAS number of 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one is 219618-30-1.
What is the molecular formula of 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one?
The molecular formula of 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one is C17H16N2O4S.
What is the molecular weight of 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one?
The molecular weight of 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one is 344.08 g/mol.
Where can I buy 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one?
You can request a quote for 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7,8-Trimethoxy-3-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.