CAS RN: 6226-76-2
CROCEIN SCARLET 7B
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250403 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS6226-76-2
- Purity/Analytical Methods: >99.0%
6226-76-2 / disodium;3-methyl-4-[[3-methyl-4-[(2-oxido-8-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonate
Basic Information
CAS
6226-76-2
Multi CAS
Yes
Molecular Formula
C24H18N4NA2O7S2
Molecular Weight
584.500000
Exact Mass
584.041230
InChI
InChI=1S/C24H20N4O7S2.2Na/c1-14-12-17(25-26-20-10-8-18(13-15(20)2)36(30,31)32)7-9-19(14)27-28-24-21(29)11-6-16-4-3-5-22(23(16)24)37(33,34)35;;/h3-13,29H,1-2H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2
InChIKey
GMWXFMFHCCFVJU-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
22
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
1
Molar refractivity
131.88
TPSA
184.07
LogP / Solubility
WLOGP
-0.48
MLOGP
-0.38
XLogP3
-0.48
Consensus LogP
-0.45
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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