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CAS 182564-41-6 N-(4-Fluorobenzoyl)-5-aMino-1H-indole molecular structure lightbox
CAS RN: 182564-41-6

N-(4-Fluorobenzoyl)-5-aMino-1H-indole

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Batchno.20250910 10mg Out of stock Inquiry
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  • Product code: starshine_CAS182564-41-6
  • Purity/Analytical Methods: >99.0%
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182564-41-6 / 4-fluoro-N-(1H-indol-5-yl)benzamide

Standard CAS: 182564-41-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
182564-41-6
Multi CAS
No
Molecular Formula
C15H11FN2O
Molecular Weight
254.260000
Exact Mass
254.085541
SMILES
C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)NC=C3)F
InChI
InChI=1S/C15H11FN2O/c16-12-3-1-10(2-4-12)15(19)18-13-5-6-14-11(9-13)7-8-17-14/h1-9,17H,(H,18,19)
InChIKey
RQJUZWRDCVBOMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
72.65
TPSA
44.89

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
2.8
Consensus LogP
3.17
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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