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CAS 120791-60-8 6-AMino-1,3,3-triMethyl-2-oxoindoline molecular structure lightbox
CAS RN: 120791-60-8

6-AMino-1,3,3-triMethyl-2-oxoindoline

  • Product code: SSC-022062
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120791-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

120791-60-8 / 6-amino-1,3,3-trimethylindol-2-one

6-Amino-1,3,3-trimethyl-2-oxoindoline | 6-amino-1,3,3-trimethylindolin-2-one | 6-AMINO-1,3,3-TRIMETHYL-2,3-DIHYDRO-1H-INDOL-2-ONE

Standard CAS: 120791-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
120791-60-8
Multi CAS
No
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
SMILES
CC1(C2=C(C=C(C=C2)N)N(C1=O)C)C
InChI
InChI=1S/C11H14N2O/c1-11(2)8-5-4-7(12)6-9(8)13(3)10(11)14/h4-6H,12H2,1-3H3
InChIKey
REGFWMJGPPJKKI-UHFFFAOYSA-N
Synonyms
6-Amino-1,3,3-trimethyl-2-oxoindoline 6-amino-1,3,3-trimethylindolin-2-one 6-AMINO-1,3,3-TRIMETHYL-2,3-DIHYDRO-1H-INDOL-2-ONE MFCD17015856 6-amino-1,3,3-trimethylindol-2-one

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.29
TPSA
46.33

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.2
Consensus LogP
1.35
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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