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CAS 58188-46-8 meso-Tetratolylporphyrin-Ni(II) molecular structure lightbox
CAS RN: 58188-46-8

meso-Tetratolylporphyrin-Ni(II)

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 1g In stock Inquiry
Batchno.20250325 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS58188-46-8
  • Purity/Analytical Methods: >99.0%
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58188-46-8 / nickel(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide

Standard CAS: 58188-46-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58188-46-8
Multi CAS
Yes
Molecular Formula
C48H36IN5
Molecular Weight
727.500000
Exact Mass
726.229339
InChI
InChI=1S/C48H36N4.Ni/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;/h5-28H,1-4H3;/q-2;+2
InChIKey
IOHXPIBPINLQIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
44
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
217.49
TPSA
53.98

LogP / Solubility

WLOGP
11.81
MLOGP
10.46
XLogP3
11.81
Consensus LogP
11.36
Log S (ESOL)
-12.14
Class (ESOL)
Insoluble
Log S (Ali)
-14.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.67
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)
1.23

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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