![3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one structure](/static/products/5405/540514-53-2.webp)
3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
TL;DR: 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one (CAS 540514-53-2) is a chemical compound with molecular formula C25H22N2O4S and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
Also Known As: 3-benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one, 3-benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one, 3-benzyl-2-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one, 3-benzyl-2-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio}quinazolin-4(3H)-one
| Molecular Formula | C25H22N2O4S |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 4.437 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.13004 |
| Heavy Atoms | 32 |
| Complexity | 1318.8302 |
Chemical Identifiers
| CAS Number | 540514-53-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4 |
Product Overview
3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one (CAS 540514-53-2), with molecular formula C25H22N2O4S and molecular weight 446.13 g/mol. IUPAC: 3-benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one.
Chemical Property Profile of 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
Property Insights of 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
The XLogP value of 4.437 indicates that 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one. Following Lipinski's Rule of Five, 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one has 0 hydrogen bond donor(s) and 6 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 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The CAS number of 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one is 540514-53-2.
What is the molecular formula of 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The molecular formula of 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one is C25H22N2O4S.
What is the molecular weight of 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The molecular weight of 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one is 446.13 g/mol.
Where can I buy 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
You can request a quote for 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.