CAS RN: 64356-33-8

5-Bromo-benzo[c]fluoren-7-one

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  • Product code: starshine_CAS64356-33-8
  • Purity/Analytical Methods: >99.0%
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64356-33-8 / 5-bromobenzo[c]fluoren-7-one

Standard CAS: 64356-33-8 Multi CAS: No

Basic Information

CAS
64356-33-8
Multi CAS
No
Molecular Formula
C17H9BRO
Molecular Weight
309.160000
Exact Mass
307.983680
InChI
InChI=1S/C17H9BrO/c18-15-9-14-16(11-6-2-1-5-10(11)15)12-7-3-4-8-13(12)17(14)19/h1-9H
InChIKey
DSHOXYZGFKAFLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
H-bond acceptors
1
Molar refractivity
80.52
TPSA
17.07

LogP / Solubility

WLOGP
4.81
MLOGP
4.25
XLogP3
5
Consensus LogP
4.69
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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