methanone structure](/static/products/4780/478048-71-4.webp)
[3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone
TL;DR: [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone (CAS 478048-71-4) is a chemical compound with molecular formula C19H20FNO2 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-fluorophenyl)methanone
Also Known As: 5M-332S, [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone, (3-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-fluorophenyl)methanone, 3-tert-butyl-4-(4-fluorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazine
| Molecular Formula | C19H20FNO2 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 4.2796 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.1478 |
| Heavy Atoms | 23 |
| Complexity | 718.89465 |
Chemical Identifiers
| CAS Number | 478048-71-4 |
|---|---|
| SMILES | CC(C)(C)C1COC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)F |
Product Overview
[3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone (CAS 478048-71-4), with molecular formula C19H20FNO2 and molecular weight 313.15 g/mol. IUPAC: (3-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-fluorophenyl)methanone.
Chemical Property Profile of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone
Property Insights of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone
The XLogP value of 4.2796 indicates that [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone has 0 hydrogen bond donor(s) and 2 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-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone?
The CAS number of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone is 478048-71-4.
What is the molecular formula of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone?
The molecular formula of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone is C19H20FNO2.
What is the molecular weight of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone?
The molecular weight of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone is 313.15 g/mol.
Where can I buy [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone?
You can request a quote for [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](4-fluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.