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CAS 61586-86-5 ZN(II) PHTHALOCYANINE TETRASULFONIC ACID molecular structure lightbox
CAS RN: 61586-86-5

ZN(II) PHTHALOCYANINE TETRASULFONIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260219 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250301 1g In stock Shanghai Inquiry
Batchno.20260329 250mg In stock Shanghai Inquiry
Batchno.20251216 50mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-170517
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 61586-86-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

61586-86-5 / zinc 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-6,15,24,33-tetrasulfonic acid

Standard CAS: 61586-86-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61586-86-5
Multi CAS
Yes
Molecular Formula
C32H16N8O12S4Zn
Molecular Weight
898.200000
Exact Mass
895.906194
InChI
InChI=1S/C32H16N8O12S4.Zn/c41-53(42,43)13-1-5-17-21(9-13)29-33-25(17)37-30-22-10-14(54(44,45)46)2-6-18(22)27(34-30)39-32-24-12-16(56(50,51)52)4-8-20(24)28(36-32)40-31-23-11-15(55(47,48)49)3-7-19(23)26(35-31)38-29;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);/q-2;+2
InChIKey
CNTYIVNBEJZRNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
40
Rotatable bonds
4
H-bond acceptors
14
H-bond donors
4
Molar refractivity
193.25
TPSA
323.02

LogP / Solubility

WLOGP
3.11
MLOGP
2.82
XLogP3
3.11
Consensus LogP
3.01
Log S (ESOL)
-7.62
Class (ESOL)
Insoluble
Log S (Ali)
-9.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.99

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
10

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