CAS RN: 51550-25-5
Beryllon II
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250107 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong | 8-10 business days | Inquiry |
- Product code: ICTB0452
51550-25-5 / tetrasodium;4,5-dihydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
Basic Information
CAS
51550-25-5
Multi CAS
Yes
Molecular Formula
C20H10N2NA4O15S4
Molecular Weight
738.500000
Exact Mass
737.855479
InChI
InChI=1S/C20H14N2O15S4.4Na/c23-14-6-11(39(29,30)31)2-8-1-10(38(26,27)28)5-13(17(8)14)21-22-19-16(41(35,36)37)4-9-3-12(40(32,33)34)7-15(24)18(9)20(19)25;;;;/h1-7,23-25H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;4*+1/p-4
InChIKey
BYOASQSUNKYWNG-UHFFFAOYSA-J
Physical Properties
Physical Description
Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
20
Rotatable bonds
6
H-bond acceptors
17
H-bond donors
3
Molar refractivity
128.92
TPSA
314.21
LogP / Solubility
WLOGP
-10.84
MLOGP
-9.48
XLogP3
-10.84
Consensus LogP
-10.39
Log S (ESOL)
2.48
Class (ESOL)
Highly soluble
Log S (Ali)
2.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.82
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-14.92
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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