CAS RN: 18600-51-6
2-(4-FLUOROPHENYL)-4H-3,1-BENZOXAZIN-4-ONE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250317 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS18600-51-6
- Purity/Analytical Methods: >99.0%
18600-51-6 / 2-(4-fluorophenyl)-3,1-benzoxazin-4-one
Basic Information
CAS
18600-51-6
Multi CAS
No
Molecular Formula
C14H8FNO2
Molecular Weight
241.220000
Exact Mass
241.053907
SMILES
C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H8FNO2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(17)18-13/h1-8H
InChIKey
FWPIOVHFUGZTPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
65.67
TPSA
43.1
LogP / Solubility
WLOGP
2.99
MLOGP
2.64
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
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![CAS 18604-28-9 (3a’R,4S,7’S,7a’S)-2,2,2′,2′-tetramethyltetrahydrospiro[[1,3]dioxolane-4,6′-[1,3]dioxolo[4,5-c]pyran]-7′-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/18604-28-9.gif)
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