4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide
TL;DR: 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide (CAS 451464-99-6) is a chemical compound with molecular formula C27H26FN3O2S and molecular weight 475.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-(2-phenylethyl)butanamide
Also Known As: 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide, F0916-5121, 4-(2-{[(2-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(2-phenylethyl)butanamide, 4-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide, 4-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-(2-phenylethyl)butanamide
| Molecular Formula | C27H26FN3O2S |
|---|---|
| Molecular Weight | 475.17 g/mol |
| LogP | 4.967 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 475.17297 |
| Heavy Atoms | 34 |
| Complexity | 1324.5184 |
Chemical Identifiers
| CAS Number | 451464-99-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F |
Product Overview
4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide (CAS 451464-99-6), with molecular formula C27H26FN3O2S and molecular weight 475.17 g/mol. IUPAC: 4-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-(2-phenylethyl)butanamide.
Chemical Property Profile of 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide
Property Insights of 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide
The XLogP value of 4.967 indicates that 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide 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 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide. Following Lipinski's Rule of Five, 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide 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 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide?
The CAS number of 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide is 451464-99-6.
What is the molecular formula of 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide?
The molecular formula of 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide is C27H26FN3O2S.
What is the molecular weight of 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide?
The molecular weight of 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide is 475.17 g/mol.
Where can I buy 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide?
You can request a quote for 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((2-fluorobenzyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-phenethylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.