![CAS 1824320-96-8 (6-FLUOROBENZO[D]ISOXAZOL-3-YL)METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB53978664.gif)
CAS RN: 1824320-96-8
(6-FLUOROBENZO[D]ISOXAZOL-3-YL)METHANOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250901 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1824320-96-8
- Purity/Analytical Methods: >99.0%
1824320-96-8 / (6-fluoro-1,2-benzoxazol-3-yl)methanol
Basic Information
CAS
1824320-96-8
Multi CAS
No
Molecular Formula
C8H6FNO2
Molecular Weight
167.140000
Exact Mass
167.038257
SMILES
C1=CC2=C(C=C1F)ON=C2CO
InChI
InChI=1S/C8H6FNO2/c9-5-1-2-6-7(4-11)10-12-8(6)3-5/h1-3,11H,4H2
InChIKey
OJAGFQKJZJQNAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.89
TPSA
46.26
LogP / Solubility
WLOGP
1.46
MLOGP
1.28
XLogP3
1
Consensus LogP
1.25
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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