CAS RN: 359415-47-7
N749 Black Dye
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250129 | 10mg | Out of stock | Inquiry |
- Product code: ICTN1104
- Purity/Analytical Methods: >85.0%(HPLC)
359415-47-7 / 2-(4-carboxylato-2-pyridinyl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;ruthenium(2+);tris(tetrabutylazanium);trithiocyanate
Basic Information
CAS
359415-47-7
Multi CAS
Yes
Molecular Formula
C69H117N9O6RuS3
Molecular Weight
1366.000000
Exact Mass
1365.733236
InChI
InChI=1S/C18H11N3O6.3C16H36N.3CHNS.Ru/c22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13;3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3*2-1-3;/h1-8H,(H,22,23)(H,24,25)(H,26,27);3*5-16H2,1-4H3;3*3H;/q;3*+1;;;;+2/p-5
InChIKey
YEBHFMRFRMSYFR-UHFFFAOYSA-I
Computed Properties
Structural Parameters
Heavy atom count
88
Aromatic heavy atom count
18
Fraction Csp3
0.7
Rotatable bonds
41
H-bond acceptors
14
H-bond donors
1
Molar refractivity
363.33
TPSA
227.6
LogP / Solubility
WLOGP
14.68
MLOGP
13.06
XLogP3
14.68
Consensus LogP
14.14
Log S (ESOL)
-15
Class (ESOL)
Insoluble
Log S (Ali)
-21.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-25.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.63
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 435293-93-9 Tris[1-phenylisoquinoline-C2,N]iridium(III) (purified by sublimation) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2685-jpgcontextbwfzdgvyfhjvb3r8ndk5ndn8aw1hz2uvanblz3xomjevadu2lzg5mzi2mzg1mjm0mjivvdi2oduuanbnfgnlzgnmmdizmdrlnmi1ndvjzweyyjgxyjyyotyzyti4ywy1nzhimdu0zjrizmi1zwnmmzqyzmzlntdhmmnjmmy.jpeg)
