CAS RN: 67595-97-5
5,10,15,20-Tetrakis-(4-aminophenyl)-porphyrin-Cu-(II)
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS67595-97-5
- Purity/Analytical Methods: >99.0%
67595-97-5 / copper 4-[10,15,20-tris(4-aminophenyl)porphyrin-22,24-diid-5-yl]aniline
Basic Information
CAS
67595-97-5
Multi CAS
Yes
Molecular Formula
C45H32N8U
Molecular Weight
736.300000
Exact Mass
735.204590
InChI
InChI=1S/C44H32N8.Cu/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
KGRSBJAKIMRVEC-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)
-10.37
Class (ESOL)
Insoluble
Log S (Ali)
-12.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.32
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)
-0.89
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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![CAS 67595-99-7 Nickel, [[4,4′,4”,4”’-(21H,23H-porphine-5,10,15,20-tetrayl-κN21,κN22,κN23,κN24)tetrakis[benzenaminato]](2-)]-, (SP-4-1)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67595-99-7.gif)
