CAS RN: 524684-52-4

Prinaberel

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  • Product code: starshine_CAS524684-52-4
  • Purity/Analytical Methods: >99.0%
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524684-52-4 / 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol

Standard CAS: 524684-52-4 Multi CAS: Yes

Basic Information

CAS
524684-52-4
Multi CAS
Yes
Molecular Formula
C15FH10NO3
Molecular Weight
271.240000
Exact Mass
271.064471
InChI
InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2
InChIKey
MQIMZDXIAHJKQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.82
TPSA
66.49

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.6
Consensus LogP
3.51
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly 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)
-1.76

Drug-likeness / Medicinal Chemistry

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

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