6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one (CAS 31485-66-2) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 6,7-dimethoxy-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6,7-Dimethoxy-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone, 6,7-dimethoxy-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one, 2,3-Dihydro-6,7-dimethoxy-3-phenyl-2-thioxo-1H-quinazolin-4-one, 6,7-dimethoxy-3-phenyl-2-sulfanyl-4(3H)-quinazolinone
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 31485-66-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3)OC |
| InChIKey | DKEYZNUDLQFDAL-UHFFFAOYSA-N |
Product Overview
6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one (CAS 31485-66-2), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 6,7-dimethoxy-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one. Following Lipinski's Rule of Five, 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one has 1 hydrogen bond donor(s) and 4 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-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one is 31485-66-2.
What is the molecular formula of 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one is C16H14N2O3S.
What is the molecular weight of 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one is 314.07 g/mol.
Where can I buy 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-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-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-3-phenyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.