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CAS 847665-45-6 Ru(4,4-dicarboxylic acid-2,2′-bipyridine)(4,4′-bis(p-hexyloxystyryl)-2,2-bipyridine)(NCS)2 molecular structure lightbox
CAS RN: 847665-45-6

Ru(4,4-dicarboxylic acid-2,2′-bipyridine)(4,4′-bis(p-hexyloxystyryl)-2,2-bipyridine)(NCS)2

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250210 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250916 1g In stock Shenzhen Inquiry
Batchno.20250721 250mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260527 50mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260502 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS847665-45-6
  • Purity/Analytical Methods: >99.0%
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847665-45-6 / 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium(2+);diisothiocyanate

Standard CAS: 847665-45-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
847665-45-6
Multi CAS
Yes
Molecular Formula
C52H52N6O6RuS2
Molecular Weight
1022.200000
Exact Mass
1022.243316
InChI
InChI=1S/C38H44N2O2.C12H8N2O4.2CNS.Ru/c1-3-5-7-9-27-41-35-19-15-31(16-20-35)11-13-33-23-25-39-37(29-33)38-30-34(24-26-40-38)14-12-32-17-21-36(22-18-32)42-28-10-8-6-4-2;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h11-26,29-30H,3-10,27-28H2,1-2H3;1-6H,(H,15,16)(H,17,18);;;/q;;2*-1;+2/b13-11+,14-12+;;;;
InChIKey
HBARXZGSEMEPLK-BPSJQPAOSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Aromatic heavy atom count
36
Fraction Csp3
0.23
Rotatable bonds
20
H-bond acceptors
10
H-bond donors
2
Molar refractivity
270.78
TPSA
189.22

LogP / Solubility

WLOGP
13.26
MLOGP
11.77
XLogP3
13.26
Consensus LogP
12.76
Log S (ESOL)
-13.61
Class (ESOL)
Insoluble
Log S (Ali)
-17.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.71
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.46

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
5.5

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