CAS RN: 63560-89-4
Neurodye DiBAC4(5)
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250511 | 25mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS63560-89-4
- Purity/Analytical Methods: >99.0%
63560-89-4 / 1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
Basic Information
CAS
63560-89-4
Multi CAS
Yes
Molecular Formula
C29H42N4O6
Molecular Weight
542.700000
Exact Mass
542.310435
InChI
InChI=1S/C29H42N4O6/c1-5-9-18-30-24(34)22(25(35)31(28(30)38)19-10-6-2)16-14-13-15-17-23-26(36)32(20-11-7-3)29(39)33(27(23)37)21-12-8-4/h13-17,22H,5-12,18-21H2,1-4H3/b15-13+,16-14+
InChIKey
UYFIBXZWFVQCAN-WXUKJITCSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
1
Molar refractivity
151.34
TPSA
121.92
LogP / Solubility
WLOGP
4.2
MLOGP
3.74
XLogP3
5
Consensus LogP
4.31
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.48
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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