[email protected]
CAS 52629-20-6 COBALT(II) 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-HEXADECAFLUORO-29H,31H-PHTHALOCYANINE molecular structure lightbox
CAS RN: 52629-20-6

COBALT(II) 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-HEXADECAFLUORO-29H,31H-PHTHALOCYANINE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251114 100mg In stock Shanghai Inquiry
Batchno.20260210 1g In stock Shanghai Inquiry
Batchno.20250803 250mg In stock Shanghai Inquiry
Batchno.20251113 5g Out of stock Inquiry
  • Product code: starshine_CAS52629-20-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

52629-20-6 / cobalt(2+);5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Standard CAS: 52629-20-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52629-20-6
Multi CAS
Yes
Molecular Formula
C33F16N8O
Molecular Weight
859.300000
Exact Mass
858.932236
InChI
InChI=1S/C32F16N8.Co/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39)32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38;/q-2;+2
InChIKey
OFILAZNRYPZFNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
40
H-bond acceptors
6
Molar refractivity
153.32
TPSA
105.54

LogP / Solubility

WLOGP
8.35
MLOGP
7.43
XLogP3
8.35
Consensus LogP
8.04
Log S (ESOL)
-10.95
Class (ESOL)
Insoluble
Log S (Ali)
-12.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.18
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)
-2.03

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
10

Customers Also Viewed

Get In Touch

Contact Us