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CAS 56420-24-7 Meso-Tetra(4-trifluoroMethylphenyl) porphine molecular structure lightbox
CAS RN: 56420-24-7

Meso-Tetra(4-trifluoroMethylphenyl) porphine

  • Product code: SSC-164379
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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: ≥95%
  • 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 56420-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

56420-24-7 / 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin

Standard CAS: 56420-24-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56420-24-7
Multi CAS
No
Molecular Formula
C48F12H26N4
Molecular Weight
886.700000
Exact Mass
886.196585
InChI
InChI=1S/C48H26F12N4/c49-45(50,51)29-9-1-25(2-10-29)41-33-17-19-35(61-33)42(26-3-11-30(12-4-26)46(52,53)54)37-21-23-39(63-37)44(28-7-15-32(16-8-28)48(58,59)60)40-24-22-38(64-40)43(36-20-18-34(41)62-36)27-5-13-31(14-6-27)47(55,56)57/h1-24,61,64H
InChIKey
OKISIYIWFSIZIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
64
Aromatic heavy atom count
44
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
220.61
TPSA
57.36

LogP / Solubility

WLOGP
15.4
MLOGP
13.63
XLogP3
13.9
Consensus LogP
14.31
Log S (ESOL)
-15.28
Class (ESOL)
Insoluble
Log S (Ali)
-17.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.8

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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