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CAS 26305-75-9 CHLOROTRIS(TRIPHENYLPHOSPHINE)COBALT(I) molecular structure lightbox
CAS RN: 26305-75-9

CHLOROTRIS(TRIPHENYLPHOSPHINE)COBALT(I)

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250216 100g Out of stock Inquiry
Batchno.20251107 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250316 25g In stock Chengdu Inquiry
Batchno.20251128 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS26305-75-9
  • Purity/Analytical Methods: >99.0%
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26305-75-9 / chlorocobalt(1+);tris(triphenylphosphane)

Standard CAS: 26305-75-9 Multi CAS: No
Basic Information Computed Properties

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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