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CAS 1051373-06-8 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(2-aminoethyl)-6-(dimethylamino)- molecular structure lightbox
CAS RN: 1051373-06-8

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(2-aminoethyl)-6-(dimethylamino)-

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250424 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250705 100mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1051373-06-8
  • Purity/Analytical Methods: >99.0%
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1051373-06-8 / 2-(2-aminoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione

2-(2-Aminoethyl)-6-(dimethylamino)-1H-benz[de]isoquinoline-1,3(2H)-dione | 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(2-aminoethyl)-6-(dimethylamino)- | 2-(2-aminoethyl)-6-(dimethylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione

Standard CAS: 1051373-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1051373-06-8
Multi CAS
No
Molecular Formula
C16H17N3O2
Molecular Weight
283.320000
Exact Mass
283.132077
SMILES
CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCN
InChI
InChI=1S/C16H17N3O2/c1-18(2)13-7-6-12-14-10(13)4-3-5-11(14)15(20)19(9-8-17)16(12)21/h3-7H,8-9,17H2,1-2H3
InChIKey
IQKFJZKSENZCLN-UHFFFAOYSA-N
Synonyms
2-(2-Aminoethyl)-6-(dimethylamino)-1H-benz[de]isoquinoline-1,3(2H)-dione 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(2-aminoethyl)-6-(dimethylamino)- 2-(2-aminoethyl)-6-(dimethylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione MFCD28902269 2-(2-aminoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.7
TPSA
66.64

LogP / Solubility

WLOGP
1.46
MLOGP
1.3
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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