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CAS 98086-28-3 5,10,15,20-Tetrakis-(4-aminophenyl)-porphine-Mg(II) molecular structure lightbox
CAS RN: 98086-28-3

5,10,15,20-Tetrakis-(4-aminophenyl)-porphine-Mg(II)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250603 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS98086-28-3
  • Purity/Analytical Methods: >99.0%
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98086-28-3 / magnesium 4-[10,15,20-tris(4-aminophenyl)porphyrin-22,24-diid-5-yl]aniline

Standard CAS: 98086-28-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98086-28-3
Multi CAS
Yes
Molecular Formula
C44H32MgN8
Molecular Weight
697.100000
Exact Mass
696.260035
InChI
InChI=1S/C44H32N8.Mg/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24H,45-48H2;/q-2;+2
InChIKey
JDQCREBWJUQXPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
221.94
TPSA
158.06

LogP / Solubility

WLOGP
8.53
MLOGP
7.57
XLogP3
8.53
Consensus LogP
8.21
Log S (ESOL)
-9.89
Class (ESOL)
Insoluble
Log S (Ali)
-11.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.75
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.92

Drug-likeness / Medicinal Chemistry

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

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