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CAS 850032-66-5 N-ethyl-N-isoprpyl-5-methoxy-tryptamine molecular structure lightbox
CAS RN: 850032-66-5

N-ethyl-N-isoprpyl-5-methoxy-tryptamine

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1 package records0 with current stock1 grade group
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Batchno.20250517 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS850032-66-5
  • Purity/Analytical Methods: >99.0%
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850032-66-5 / N-ethyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propan-2-amine

Standard CAS: 850032-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850032-66-5
Multi CAS
No
Molecular Formula
C16H24N2O
Molecular Weight
260.370000
Exact Mass
260.188863
InChI
InChI=1S/C16H24N2O/c1-5-18(12(2)3)9-8-13-11-17-16-7-6-14(19-4)10-15(13)16/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKey
VVEQXDHSGNBFLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
80.94
TPSA
28.26

LogP / Solubility

WLOGP
3.45
MLOGP
3.04
XLogP3
2.7
Consensus LogP
3.06
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

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

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