![2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide structure](/static/products/5728/5728-98-3.webp)
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide
TL;DR: 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide (CAS 5728-98-3) is a chemical compound with molecular formula C21H22FN3O2S and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide
Also Known As: 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide, 2-{[3-(4-Fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(pentan-3-yl)acetamide
| Molecular Formula | C21H22FN3O2S |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 3.9217 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.14166 |
| Heavy Atoms | 28 |
| Complexity | 1029.9952 |
Chemical Identifiers
| CAS Number | 5728-98-3 |
|---|---|
| SMILES | CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F |
Product Overview
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide (CAS 5728-98-3), with molecular formula C21H22FN3O2S and molecular weight 399.14 g/mol. IUPAC: 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide.
Chemical Property Profile of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide
Property Insights of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide
The XLogP value of 3.9217 indicates that 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide. Following Lipinski's Rule of Five, 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide has 1 hydrogen bond donor(s) and 4 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-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide?
The CAS number of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide is 5728-98-3.
What is the molecular formula of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide?
The molecular formula of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide is C21H22FN3O2S.
What is the molecular weight of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide?
The molecular weight of 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide is 399.14 g/mol.
Where can I buy 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide?
You can request a quote for 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.