2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one
TL;DR: 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 613226-31-6) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one
Also Known As: 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one, 2-((2-(3,4-DIMETHOXY-PH)-2-OXOETHYL)SULFANYL)-3-(4-MEO-PH)-4(3H)-QUINAZOLINONE, 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-3-(4-methoxyphenyl)-3-hydroquinazol in-4-one
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 4.3865 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1365.8411 |
Chemical Identifiers
| CAS Number | 613226-31-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4)OC)OC |
Product Overview
2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one (CAS 613226-31-6), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one.
Chemical Property Profile of 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one
Property Insights of 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one
The XLogP value of 4.3865 indicates that 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 7 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-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The CAS number of 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one is 613226-31-6.
What is the molecular formula of 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular formula of 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one is C25H22N2O5S.
What is the molecular weight of 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
The molecular weight of 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one is 462.12 g/mol.
Where can I buy 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
You can request a quote for 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-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 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.