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CAS 147265-76-7 Ethanone, 1-(2,3-dihydro-1H-indol-6-yl)- (9CI) molecular structure lightbox
CAS RN: 147265-76-7

Ethanone, 1-(2,3-dihydro-1H-indol-6-yl)- (9CI)

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Batchno.20250702 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS147265-76-7
  • Purity/Analytical Methods: >99.0%
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147265-76-7 / 1-(2,3-dihydro-1H-indol-6-yl)ethanone

Standard CAS: 147265-76-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
147265-76-7
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
SMILES
CC(=O)C1=CC2=C(CCN2)C=C1
InChI
InChI=1S/C10H11NO/c1-7(12)9-3-2-8-4-5-11-10(8)6-9/h2-3,6,11H,4-5H2,1H3
InChIKey
IPLQKFTXVNWKGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.64
TPSA
29.1

LogP / Solubility

WLOGP
1.86
MLOGP
1.63
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-2.38

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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