![3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one structure](/static/products/4222/422279-01-4.webp)
3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one
TL;DR: 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one (CAS 422279-01-4) is a chemical compound with molecular formula C28H26FN3O4S and molecular weight 519.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one
Also Known As: 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one, F0916-4644, 3-benzyl-2-(((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-6-morpholinoquinazolin-4(3H)-one, 3-benzyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one
| Molecular Formula | C28H26FN3O4S |
|---|---|
| Molecular Weight | 519.16 g/mol |
| LogP | 4.5793 |
| Topological Polar Surface Area | 65.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.1628 |
| Heavy Atoms | 37 |
| Complexity | 1488.7805 |
Chemical Identifiers
| CAS Number | 422279-01-4 |
|---|---|
| SMILES | C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC(=CC6=C5OCOC6)F |
Product Overview
3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one (CAS 422279-01-4), with molecular formula C28H26FN3O4S and molecular weight 519.16 g/mol. IUPAC: 3-benzyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one.
Chemical Property Profile of 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one
Property Insights of 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one
The XLogP value of 4.5793 indicates that 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one?
The CAS number of 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one is 422279-01-4.
What is the molecular formula of 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one?
The molecular formula of 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one is C28H26FN3O4S.
What is the molecular weight of 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one?
The molecular weight of 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one is 519.16 g/mol.
Where can I buy 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one?
You can request a quote for 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-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-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.