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CAS 69684-83-9 6-FLUORO-4-CHROMANONE HYDANTOIN molecular structure lightbox
CAS RN: 69684-83-9

6-FLUORO-4-CHROMANONE HYDANTOIN

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3 package records0 with current stock1 grade group
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  • Product code: starshine_CAS69684-83-9
  • Purity/Analytical Methods: >99.0%
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69684-83-9 / 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

Standard CAS: 69684-83-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69684-83-9
Multi CAS
Yes
Molecular Formula
C11FH9N2O3
Molecular Weight
236.200000
Exact Mass
236.059720
InChI
InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKey
LXANPKRCLVQAOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.86
TPSA
67.43

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
0.7
Consensus LogP
0.64
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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