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CAS 19125-99-6 SOLVENT YELLOW 43 molecular structure lightbox
CAS RN: 19125-99-6

SOLVENT YELLOW 43

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Batchno.20250510 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS19125-99-6
  • Purity/Analytical Methods: >99.0%
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19125-99-6 / 2-butyl-6-(butylamino)benzo[de]isoquinoline-1,3-dione

Standard CAS: 19125-99-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19125-99-6
Multi CAS
No
Molecular Formula
C20H24N2O2
Molecular Weight
324.400000
Exact Mass
324.183778
SMILES
CCCCNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCC
InChI
InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3
InChIKey
DXWHZJXKTHGHQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.62
TPSA
49.41

LogP / Solubility

WLOGP
4.45
MLOGP
3.93
XLogP3
4.6
Consensus LogP
4.33
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
H413 (22%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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