![2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one structure](/static/products/7906/790682-16-5.webp)
2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
TL;DR: 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one (CAS 790682-16-5) is a chemical compound with molecular formula C25H18N2O6S and molecular weight 474.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
Also Known As: 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one, 2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylthio]-3-(3-methoxyphenyl)quinazolin-4-one, 2-[(6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-(3-methoxyphenyl)-4-quinazolinone, 2-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one, 2-{[(6,7-dihydroxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-3-(3-methoxyphenyl)-3,4-dihydroquinazolin-4-one
| Molecular Formula | C25H18N2O6S |
|---|---|
| Molecular Weight | 474.09 g/mol |
| LogP | 4.2042 |
| Topological Polar Surface Area | 114.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.08856 |
| Heavy Atoms | 34 |
| Complexity | 1674.8685 |
Chemical Identifiers
| CAS Number | 790682-16-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=CC(=C(C=C45)O)O |
Product Overview
2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one (CAS 790682-16-5), with molecular formula C25H18N2O6S and molecular weight 474.09 g/mol. IUPAC: 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one.
Chemical Property Profile of 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
Property Insights of 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
The XLogP value of 4.2042 indicates that 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one. Following Lipinski's Rule of Five, 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one has 2 hydrogen bond donor(s) and 8 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 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one?
The CAS number of 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one is 790682-16-5.
What is the molecular formula of 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one?
The molecular formula of 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one is C25H18N2O6S.
What is the molecular weight of 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one?
The molecular weight of 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one is 474.09 g/mol.
Where can I buy 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one?
You can request a quote for 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.