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CAS 398-63-0 6-FLUORO-2H-1,4-BENZOXAZIN-3(4H)-ONE molecular structure lightbox
CAS RN: 398-63-0

6-FLUORO-2H-1,4-BENZOXAZIN-3(4H)-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS398-63-0
  • Purity/Analytical Methods: >99.0%
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398-63-0 / 6-fluoro-4H-1,4-benzoxazin-3-one

Standard CAS: 398-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
398-63-0
Multi CAS
No
Molecular Formula
C8FH6NO2
Molecular Weight
167.140000
Exact Mass
167.038257
InChI
InChI=1S/C8H6FNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
InChIKey
ZKNRUFWEZPGGQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.52
TPSA
38.33

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-2.92

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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