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CAS 67201-98-3 5,10,15,20-Tetrakis-(4-aminophenyl)-porphyrin-Co-(II) molecular structure lightbox
CAS RN: 67201-98-3

5,10,15,20-Tetrakis-(4-aminophenyl)-porphyrin-Co-(II)

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Batch No.PackageAvailabilityInquiry
Batchno.20250119 50mg Out of stock Inquiry
  • Product code: starshine_CAS67201-98-3
  • Purity/Analytical Methods: >99.0%
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67201-98-3 / cobalt(2+);4-[10,15,20-tris(4-aminophenyl)porphyrin-22,24-diid-5-yl]aniline

Standard CAS: 67201-98-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67201-98-3
Multi CAS
Yes
Molecular Formula
C45H32N8O
Molecular Weight
731.700000
Exact Mass
731.208187
InChI
InChI=1S/C44H32N8.Co/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
MKDNQHGERDVCPS-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
216.19
TPSA
158.06

LogP / Solubility

WLOGP
8.91
MLOGP
7.9
XLogP3
8.91
Consensus LogP
8.57
Log S (ESOL)
-10.34
Class (ESOL)
Insoluble
Log S (Ali)
-11.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.29
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)
-0.86

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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