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CAS 26201-32-1 Titanyl Phthalocyanine (purified by sublimation) molecular structure lightbox
CAS RN: 26201-32-1

Titanyl Phthalocyanine (purified by sublimation)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 1g In stock Shanghai Inquiry
Batchno.20250813 250mg In stock Shanghai Inquiry
Batchno.20251209 25g In stock Shanghai Inquiry
Batchno.20250324 5g In stock Shanghai Inquiry
  • Product code: SSC-123371
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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 26201-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

26201-32-1 / 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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;oxotitanium(2+)

Standard CAS: 26201-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26201-32-1
Multi CAS
No
Molecular Formula
C32H16N8OTi
Molecular Weight
576.400000
Exact Mass
576.092648
SMILES
C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O=[Ti+2]
InChI
InChI=1S/C32H16N8.O.Ti/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;;/q-2;;+2
InChIKey
SJHHDDDGXWOYOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
40
H-bond acceptors
7
Molar refractivity
154.68
TPSA
122.61

LogP / Solubility

WLOGP
6.01
MLOGP
5.33
XLogP3
6.01
Consensus LogP
5.78
Log S (ESOL)
-7.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
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)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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