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CAS 62368-29-0 1-ACETYL-6-AMINOINDOLINE molecular structure lightbox
CAS RN: 62368-29-0

1-ACETYL-6-AMINOINDOLINE

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250803 1g In stock Inquiry
Batchno.20260209 5g In stock Inquiry
  • Product code: starshine_CAS62368-29-0
  • Purity/Analytical Methods: >99.0%
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62368-29-0 / 1-(6-amino-2,3-dihydroindol-1-yl)ethanone

Standard CAS: 62368-29-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62368-29-0
Multi CAS
Yes
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
InChI
InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,11H2,1H3
InChIKey
LOZKZWIQDVEDCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.59
TPSA
46.33

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
0.6
Consensus LogP
0.94
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.96

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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