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CAS 56396-12-4 5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrin molecular structure lightbox
CAS RN: 56396-12-4

5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrin

  • Product code: SSC-164357
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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 56396-12-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

56396-12-4 / 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Standard CAS: 56396-12-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56396-12-4
Multi CAS
Yes
Molecular Formula
C56H54N4
Molecular Weight
783.100000
Exact Mass
782.434848
InChI
InChI=1S/C56H54N4/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10/h13-28,57-58H,1-12H3
InChIKey
NVRVXKGQRXOICG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
60
Aromatic heavy atom count
44
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
257.45
TPSA
57.36

LogP / Solubility

WLOGP
15.02
MLOGP
13.29
XLogP3
14.8
Consensus LogP
14.37
Log S (ESOL)
-14.44
Class (ESOL)
Insoluble
Log S (Ali)
-16.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.7
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)
3.17

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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