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CAS 100510-65-4 6-AMINO-3,3-DIMETHYL-2-OXO-1,3-DIHYDRO-INDOLE molecular structure lightbox
CAS RN: 100510-65-4

6-AMINO-3,3-DIMETHYL-2-OXO-1,3-DIHYDRO-INDOLE

  • Product code: SSC-001093
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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: 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 100510-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

100510-65-4 / 6-amino-3,3-dimethyl-1H-indol-2-one

6-Amino-3,3-dimethylindolin-2-one | RefChem:540187 | 108-512-7

Standard CAS: 100510-65-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100510-65-4
Multi CAS
Yes
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
CC1(C2=C(C=C(C=C2)N)NC1=O)C
InChI
InChI=1S/C10H12N2O/c1-10(2)7-4-3-6(11)5-8(7)12-9(10)13/h3-5H,11H2,1-2H3,(H,12,13)
InChIKey
IWARVYFPBLDOAK-UHFFFAOYSA-N
Synonyms
6-Amino-3,3-dimethylindolin-2-one RefChem:540187 108-512-7 6-AMINO-3,3-DIMETHYL-1H-INDOL-2-ONE 2H-Indol-2-one, 6-amino-1,3-dihydro-3,3-dimethyl-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.51
TPSA
55.12

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1
Consensus LogP
1.27
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-2.73

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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