CAS RN: 26305-75-9
CHLOROTRIS(TRIPHENYLPHOSPHINE)COBALT(I)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250204 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS26305-75-9
- Purity/Analytical Methods: >99.0%
26305-75-9 / chlorocobalt(1+);tris(triphenylphosphane)
Basic Information
CAS
26305-75-9
Multi CAS
No
Molecular Formula
C54H45ClCoP3+
Molecular Weight
881.200000
Exact Mass
880.175459
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Co+]
InChI
InChI=1S/3C18H15P.ClH.Co/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/p-1
InChIKey
LNEYYSPXDKDADL-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
54
Rotatable bonds
9
Molar refractivity
261.3
TPSA
0.0000
LogP / Solubility
WLOGP
11.02
MLOGP
9.78
XLogP3
11.02
Consensus LogP
10.61
Log S (ESOL)
-12.33
Class (ESOL)
Insoluble
Log S (Ali)
-14.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.62
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.27
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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