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CAS 14154-42-8 Phthalocyanine Chloroaluminum molecular structure lightbox
CAS RN: 14154-42-8

Phthalocyanine Chloroaluminum

  • Product code: SSC-051871
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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: ≥98%
  • 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 14154-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

14154-42-8 / 38-chloro-9,18,27,36,37,39,40,41-octaza-38-aluminadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene

Standard CAS: 14154-42-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14154-42-8
Multi CAS
No
Molecular Formula
C32H16AlClN8
Molecular Weight
575.000000
Exact Mass
574.100184
SMILES
C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Al](N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19)Cl
InChI
InChI=1S/C32H16N8.Al.ClH/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;;1H/q-2;+3;/p-1
InChIKey
LBGCRGLFTKVXDZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
30
H-bond acceptors
8
Molar refractivity
166.94
TPSA
84.02

LogP / Solubility

WLOGP
5.16
MLOGP
4.59
XLogP3
5.16
Consensus LogP
4.97
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 119 of 119 companies. For more detailed information, please visit ECHA C&L website.

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