CAS RN: 20958-66-1
N,N’-DIMETHYL-1,4,5,8-NAPHTHALENETETRACARBOXYLIC DIIMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260110 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20958-66-1
- Purity/Analytical Methods: >99.0%
20958-66-1 / 6,13-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
Basic Information
CAS
20958-66-1
Multi CAS
No
Molecular Formula
C16H10N2O4
Molecular Weight
294.260000
Exact Mass
294.064057
SMILES
CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)C)C1=O
InChI
InChI=1S/C16H10N2O4/c1-17-13(19)7-3-5-9-12-10(16(22)18(2)15(9)21)6-4-8(11(7)12)14(17)20/h3-6H,1-2H3
InChIKey
FERUHHWVLZNKMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.12
H-bond acceptors
4
Molar refractivity
76.8
TPSA
74.76
LogP / Solubility
WLOGP
1.29
MLOGP
1.15
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
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
3
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