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CAS 106110-60-5 1-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indole-2,3-dione molecular structure lightbox
CAS RN: 106110-60-5

1-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indole-2,3-dione

  • Product code: SSC-007929
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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 106110-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

106110-60-5 / 1-[2-(dimethylamino)ethyl]indole-2,3-dione

1-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indole-2,3-dione | 1-(2-(dimethylamino)ethyl)-2,3-dihydro-1H-indole-2,3-dione | RefChem:421248

Standard CAS: 106110-60-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106110-60-5
Multi CAS
No
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
SMILES
CN(C)CCN1C2=CC=CC=C2C(=O)C1=O
InChI
InChI=1S/C12H14N2O2/c1-13(2)7-8-14-10-6-4-3-5-9(10)11(15)12(14)16/h3-6H,7-8H2,1-2H3
InChIKey
XDKUHUFHXZYBCV-UHFFFAOYSA-N
Synonyms
1-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indole-2,3-dione 1-(2-(dimethylamino)ethyl)-2,3-dihydro-1H-indole-2,3-dione RefChem:421248 849-666-1 1-[2-(DIMETHYLAMINO)ETHYL]INDOLE-2,3-DIONE

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.68
TPSA
40.62

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
0.6
Consensus LogP
0.69
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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