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CAS 14075-08-2 PHTHALOCYANINE PLATINUM molecular structure lightbox
CAS RN: 14075-08-2

PHTHALOCYANINE PLATINUM

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Batchno.20250224 10g Out of stock Inquiry
  • Product code: starshine_CAS14075-08-2
  • Purity/Analytical Methods: >99.0%
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14075-08-2 / 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;platinum(2+)

Standard CAS: 14075-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14075-08-2
Multi CAS
No
Molecular Formula
C32H16N8Pt
Molecular Weight
707.600000
Exact Mass
707.114587
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.[Pt+2]
InChI
InChI=1S/C32H16N8.Pt/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
YLGQLQSDQXOIBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
40
H-bond acceptors
6
Molar refractivity
153.99
TPSA
105.54

LogP / Solubility

WLOGP
6.12
MLOGP
5.45
XLogP3
6.12
Consensus LogP
5.9
Log S (ESOL)
-8.81
Class (ESOL)
Insoluble
Log S (Ali)
-9.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
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)
-2.69

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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