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CAS RN: 355405-02-6
N-(1,4-dioxo-3-(pyrazin-2-ylMethylaMino)-1,4-dihydronaphthalen-2-yl)-N-(2-Methoxyethyl)acetaMide
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.20251130 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS355405-02-6
- Purity/Analytical Methods: >99.0%
355405-02-6 / N-[1,4-dioxo-3-(pyrazin-2-ylmethylamino)naphthalen-2-yl]-N-(2-methoxyethyl)acetamide
Basic Information
CAS
355405-02-6
Multi CAS
No
Molecular Formula
C20H20N4O4
Molecular Weight
380.400000
Exact Mass
380.148455
InChI
InChI=1S/C20H20N4O4/c1-13(25)24(9-10-28-2)18-17(23-12-14-11-21-7-8-22-14)19(26)15-5-3-4-6-16(15)20(18)27/h3-8,11,23H,9-10,12H2,1-2H3
InChIKey
NDZVBQAPSJJMNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
100.26
TPSA
101.49
LogP / Solubility
WLOGP
1.35
MLOGP
1.21
XLogP3
0.5
Consensus LogP
1.02
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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