![2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one structure](/static/products/613/613226-32-7.png)
2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one
TL;DR: 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one (CAS 613226-32-7) is a chemical compound with molecular formula C24H18N2O5S and molecular weight 446.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one
Also Known As: 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one, 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one, 2-((2-(benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)quinazolin-4(3H)-one, 2-{[2-(1,3-BENZODIOXOL-5-YL)-2-OXOETHYL]SULFANYL}-3-(4-METHOXYPHENYL)-4(3H)-QUINAZOLINONE, 2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)quinazolin-4(3H)-one
| Molecular Formula | C24H18N2O5S |
|---|---|
| Molecular Weight | 446.09 g/mol |
| LogP | 4.098 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.09363 |
| Heavy Atoms | 32 |
| Complexity | 1381.7915 |
Chemical Identifiers
| CAS Number | 613226-32-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one (CAS 613226-32-7), with molecular formula C24H18N2O5S and molecular weight 446.09 g/mol. IUPAC: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one.
Chemical Property Profile of 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one
Property Insights of 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one
The XLogP value of 4.098 indicates that 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-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-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one. Following Lipinski's Rule of Five, 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-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-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one?
The CAS number of 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one is 613226-32-7.
What is the molecular formula of 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one?
The molecular formula of 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one is C24H18N2O5S.
What is the molecular weight of 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one?
The molecular weight of 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one is 446.09 g/mol.
Where can I buy 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one?
You can request a quote for 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-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-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.