3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one
TL;DR: 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one (CAS 689762-55-8) is a chemical compound with molecular formula C23H26FN3O2S and molecular weight 427.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2-[(4-fluorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one
Also Known As: 3-butyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one, F3168-2504, 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one, 3-butyl-2-[(4-fluorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one, 3-butyl-2-[(4-fluorophenyl)methylsulfanyl]-6-morpholin-4-yl-quinazolin-4-one
| Molecular Formula | C23H26FN3O2S |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | 4.4646 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.17297 |
| Heavy Atoms | 30 |
| Complexity | 1062.4716 |
Chemical Identifiers
| CAS Number | 689762-55-8 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC4=CC=C(C=C4)F |
Product Overview
3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one (CAS 689762-55-8), with molecular formula C23H26FN3O2S and molecular weight 427.17 g/mol. IUPAC: 3-butyl-2-[(4-fluorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one.
Chemical Property Profile of 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one
Property Insights of 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one
The XLogP value of 4.4646 indicates that 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.36 Ų, 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-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 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one?
The CAS number of 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one is 689762-55-8.
What is the molecular formula of 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one?
The molecular formula of 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one is C23H26FN3O2S.
What is the molecular weight of 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one?
The molecular weight of 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one is 427.17 g/mol.
Where can I buy 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one?
You can request a quote for 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-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 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-butyl-2-((4-fluorobenzyl)thio)-6-morpholinoquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.