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CAS 91566-04-0 INDOLE-3-(N,N-DIMETHYL)ACETAMIDE molecular structure lightbox
CAS RN: 91566-04-0

INDOLE-3-(N,N-DIMETHYL)ACETAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250330 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS91566-04-0
  • Purity/Analytical Methods: >99.0%
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91566-04-0 / 2-(1H-indol-3-yl)-N,N-dimethylacetamide

Standard CAS: 91566-04-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91566-04-0
Multi CAS
No
Molecular Formula
C12H14N2O
Molecular Weight
202.250000
Exact Mass
202.110613
InChI
InChI=1S/C12H14N2O/c1-14(2)12(15)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,7H2,1-2H3
InChIKey
GYOXOOHDSDQLBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.7
TPSA
36.1

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.3
Consensus LogP
1.56
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.68

Drug-likeness / Medicinal Chemistry

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

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