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CAS 37465-61-5 2-[2-(1H-Indol-3-yl)-ethylamino]-ethanol molecular structure lightbox
CAS RN: 37465-61-5

2-[2-(1H-Indol-3-yl)-ethylamino]-ethanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS37465-61-5
  • Purity/Analytical Methods: >99.0%
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37465-61-5 / 2-[2-(1H-indol-3-yl)ethylamino]ethanol

Standard CAS: 37465-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37465-61-5
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c15-8-7-13-6-5-10-9-14-12-4-2-1-3-11(10)12/h1-4,9,13-15H,5-8H2
InChIKey
KNOGCVUPZSAKIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
3
Molar refractivity
61.96
TPSA
48.05

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.4
Consensus LogP
1.28
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

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