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CAS 942148-12-1 TERT-BUTYL 3-(1-AMINO-2-METHYLPROPAN-2-YL)-1H-INDOLE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 942148-12-1

TERT-BUTYL 3-(1-AMINO-2-METHYLPROPAN-2-YL)-1H-INDOLE-1-CARBOXYLATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS942148-12-1
  • Purity/Analytical Methods: >99.0%
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942148-12-1 / tert-butyl 3-(1-amino-2-methylpropan-2-yl)indole-1-carboxylate

Standard CAS: 942148-12-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
942148-12-1
Multi CAS
No
Molecular Formula
C17H24N2O2
Molecular Weight
288.400000
Exact Mass
288.183778
InChI
InChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-10-13(17(4,5)11-18)12-8-6-7-9-14(12)19/h6-10H,11,18H2,1-5H3
InChIKey
QKNNTRWRJFJHCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.65
TPSA
57.25

LogP / Solubility

WLOGP
3.66
MLOGP
3.23
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
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)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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