![2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one structure](/static/products/499/499124-90-2.png)
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one
TL;DR: 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one (CAS 499124-90-2) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one
Also Known As: 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one, 2-((3,3-dimethyl-2-oxobutyl)thio)-3-(4-ethoxyphenyl)quinazolin-4(3H)-one, 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one, 2-((3,3-DIMETHYL-2-OXOBUTYL)SULFANYL)-3-(4-ETHOXYPHENYL)-4(3H)-QUINAZOLINONE, 2-(3,3-dimethyl-2-oxobutylthio)-3-(4-ethoxyphenyl)-3-hydroquinazolin-4-one
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 4.4917 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 1050.0503 |
Chemical Identifiers
| CAS Number | 499124-90-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C |
Product Overview
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one (CAS 499124-90-2), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one.
Chemical Property Profile of 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one
Property Insights of 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one
The XLogP value of 4.4917 indicates that 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one has 0 hydrogen bond donor(s) and 5 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-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one?
The CAS number of 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one is 499124-90-2.
What is the molecular formula of 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one?
The molecular formula of 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one is C22H24N2O3S.
What is the molecular weight of 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one?
The molecular weight of 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one is 396.15 g/mol.
Where can I buy 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one?
You can request a quote for 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)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-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.