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CAS 85111-02-0 5,10,15,20-Tetrakis(3,4-dihydroxyphenyl)porphyrin molecular structure lightbox
CAS RN: 85111-02-0

5,10,15,20-Tetrakis(3,4-dihydroxyphenyl)porphyrin

  • Product code: SSC-193184
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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 85111-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

85111-02-0 / 4-[10,15,20-tris(3,4-dihydroxyphenyl)-21,23-dihydroporphyrin-5-yl]benzene-1,2-diol

Standard CAS: 85111-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85111-02-0
Multi CAS
No
Molecular Formula
C44H30N4O8
Molecular Weight
742.700000
Exact Mass
742.206364
InChI
InChI=1S/C44H30N4O8/c49-33-13-1-21(17-37(33)53)41-25-5-7-27(45-25)42(22-2-14-34(50)38(54)18-22)29-9-11-31(47-29)44(24-4-16-36(52)40(56)20-24)32-12-10-30(48-32)43(28-8-6-26(41)46-28)23-3-15-35(51)39(55)19-23/h1-20,45,48-56H
InChIKey
ZDBRRAWBJQIPKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
10
Molar refractivity
213.92
TPSA
219.2

LogP / Solubility

WLOGP
8.97
MLOGP
7.96
XLogP3
7.6
Consensus LogP
8.18
Log S (ESOL)
-10.41
Class (ESOL)
Insoluble
Log S (Ali)
-12.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.88

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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