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CAS 99822-23-8 1,2-Benzisoxazol-3(2H)-one,5-fluoro-(9CI) molecular structure lightbox
CAS RN: 99822-23-8

1,2-Benzisoxazol-3(2H)-one,5-fluoro-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS99822-23-8
  • Purity/Analytical Methods: >99.0%
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99822-23-8 / 5-fluoro-1,2-benzoxazol-3-one

Standard CAS: 99822-23-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99822-23-8
Multi CAS
Yes
Molecular Formula
C7FH4NO2
Molecular Weight
153.110000
Exact Mass
153.022607
InChI
InChI=1S/C7H4FNO2/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)
InChIKey
SZEAMAWNIMHBOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.79
TPSA
46

LogP / Solubility

WLOGP
1.26
MLOGP
1.1
XLogP3
1.2
Consensus LogP
1.19
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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