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CAS 37191-15-4 Iron(III)meso-tetrakis(4-chlorophenyl)porphine-μ-oxodimer molecular structure lightbox
CAS RN: 37191-15-4

Iron(III)meso-tetrakis(4-chlorophenyl)porphine-μ-oxodimer

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260530 1g In stock Inquiry
Batchno.20260608 250mg In stock Inquiry
  • Product code: starshine_CAS37191-15-4
  • Purity/Analytical Methods: >99.0%
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37191-15-4 / bis(iron(3+));oxygen(2-);bis(5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide)

Standard CAS: 37191-15-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37191-15-4
Multi CAS
Yes
Molecular Formula
C88H48CL8FE2N8O
Molecular Weight
1628.700000
Exact Mass
1628.009901
InChI
InChI=1S/C20H34N6O11P2.3Na/c1-13(27)21-8-6-4-2-3-5-7-9-22-18-15-19(24-11-23-18)26(12-25-15)20-17(29)16(28)14(36-20)10-35-39(33,34)37-38(30,31)32;;;/h11-12,14,16-17,20,28-29H,2-10H2,1H3,(H,21,27)(H,33,34)(H,22,23,24)(H2,30,31,32);;;/q;3*+1/p-3
InChIKey
BZADQFAFXWBUNP-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
107
Aromatic heavy atom count
88
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
437.85
TPSA
136.46

LogP / Solubility

WLOGP
26.27
MLOGP
23.29
XLogP3
26.27
Consensus LogP
25.28
Log S (ESOL)
-26.57
Class (ESOL)
Insoluble
Log S (Ali)
-31.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-33.01
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)
5.99

Drug-likeness / Medicinal Chemistry

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

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