6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one
TL;DR: 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one (CAS 525581-54-8) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv3_012945, 2-mercapto-6,7-dimethoxy-3-phenethylquinazolin-4(3H)-one, BRD-K49395518-001-01-5, 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one, 6,7-dimethoxy-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.31899 |
| Topological Polar Surface Area | 56.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 977.2058 |
Chemical Identifiers
| CAS Number | 525581-54-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3)OC |
Product Overview
6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one (CAS 525581-54-8), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one
Property Insights of 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one
The XLogP value of 3.31899 indicates that 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.25 Ų, 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-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-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one?
The CAS number of 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one is 525581-54-8.
What is the molecular formula of 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one?
The molecular formula of 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one is C18H18N2O3S.
What is the molecular weight of 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one?
The molecular weight of 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one is 342.10 g/mol.
Where can I buy 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one?
You can request a quote for 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-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-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-3-(2-phenylethyl)-2-sulfanylquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.