CAS RN: 28755-03-5

Ethanone, 2-chloro-1-(3-indolyl)-

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8 package records7 with current stock2 grade groups
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Batchno.20260330 100mg In stock Inquiry
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Batchno.20260305 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS28755-03-5
  • Purity/Analytical Methods: >99.0%
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28755-03-5 / 2-chloro-1-(1H-indol-3-yl)ethanone

Standard CAS: 28755-03-5 Multi CAS: No

Basic Information

CAS
28755-03-5
Multi CAS
No
Molecular Formula
C10H8CLNO
Molecular Weight
193.630000
Exact Mass
193.029442
InChI
InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
InChIKey
LLZQFAXTCYDVTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.35
TPSA
32.86

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.7
Consensus LogP
2.52
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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