CAS RN: 1257642-74-2
Bathocuproinedisulfonic acid disodiuM salt hydrate
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260128 | 100g | Out of stock | Inquiry | |
| Batchno.20250416 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260619 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20251120 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250716 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260113 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250607 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS1257642-74-2
- Purity/Analytical Methods: >99.0%
1257642-74-2 / disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate;hydrate
Basic Information
CAS
1257642-74-2
Multi CAS
No
Molecular Formula
C26H20N2Na2O7S2
Molecular Weight
582.600000
Exact Mass
582.050732
SMILES
CC1=C(C(=C2C=CC3=C(C(=C(N=C3C2=N1)C)S(=O)(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)[O-].O.[Na+].[Na+]
InChI
InChI=1S/C26H20N2O6S2.2Na.H2O/c1-15-25(35(29,30)31)21(17-9-5-3-6-10-17)19-13-14-20-22(18-11-7-4-8-12-18)26(36(32,33)34)16(2)28-24(20)23(19)27-15;;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;;1H2/q;2*+1;/p-2
InChIKey
ZAGWMJUGRCMNGX-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
26
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
136.93
TPSA
171.68
LogP / Solubility
WLOGP
-2.27
MLOGP
-1.96
XLogP3
-2.27
Consensus LogP
-2.17
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-7.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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