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CAS 31396-84-6 ZINC 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: 31396-84-6

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

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 1g In stock Shanghai Inquiry
Batchno.20260525 250mg In stock Shanghai, Hebei Inquiry
Batchno.20260529 50mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 100mg In stock Shanghai Inquiry
Batchno.20260410 1g Out of stock Inquiry
Batchno.20250503 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS31396-84-6
  • Purity/Analytical Methods: >99.0%
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31396-84-6 / zinc 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,37,38,39-hexaza-29,40-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(38),30(37),31(36),32,34-nonadecaene

Standard CAS: 31396-84-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31396-84-6
Multi CAS
Yes
Molecular Formula
C32F16N8Zn
Molecular Weight
865.700000
Exact Mass
863.928184
InChI
InChI=1S/C32F16N8.Zn/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
BEAYCAVYGQXGEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
40
H-bond acceptors
6
Molar refractivity
151.55
TPSA
105.54

LogP / Solubility

WLOGP
8.25
MLOGP
7.34
XLogP3
8.25
Consensus LogP
7.95
Log S (ESOL)
-10.93
Class (ESOL)
Insoluble
Log S (Ali)
-12.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.14
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)
-2.14

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

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