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CAS 121459-15-2 2-(1H-indol-1-yl)ethanol molecular structure lightbox
CAS RN: 121459-15-2

2-(1H-indol-1-yl)ethanol

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250426 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 15 business days Inquiry
Batchno.20260111 1g In stock Shanghai Inquiry
Batchno.20260108 250mg In stock Shanghai Inquiry
Batchno.20251129 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS121459-15-2
  • Purity/Analytical Methods: >99.0%
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121459-15-2 / 2-indol-1-ylethanol

Standard CAS: 121459-15-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121459-15-2
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
SMILES
C1=CC=C2C(=C1)C=CN2CCO
InChI
InChI=1S/C10H11NO/c12-8-7-11-6-5-9-3-1-2-4-10(9)11/h1-6,12H,7-8H2
InChIKey
MWUVMGYIPOWLAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.02
TPSA
25.16

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
2
Consensus LogP
1.69
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-2.54

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 Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501

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