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CAS 73202-95-6 Manganate(4-),[[4,4′,4”,4”’-(21H,23H-porphine-5,10,15,20-tetrayl-κN21,κN22,κN23,κN24)tetrakis[benzoato]](6-)]-,hydrogen (1:4),(SP-4-1)- molecular structure lightbox
CAS RN: 73202-95-6

Manganate(4-),[[4,4′,4”,4”’-(21H,23H-porphine-5,10,15,20-tetrayl-κN21,κN22,κN23,κN24)tetrakis[benzoato]](6-)]-,hydrogen (1:4),(SP-4-1)-

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Batchno.20250228 100mg / 250mg / 1g Confirm by inquiry Shanghai 1 business days Inquiry
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  • Product code: starshine_CAS73202-95-6
  • Purity/Analytical Methods: >99.0%
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73202-95-6 / manganese(2+);4-[10,15,20-tris(4-carboxyphenyl)porphyrin-22,24-diid-5-yl]benzoic acid

Standard CAS: 73202-95-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73202-95-6
Multi CAS
Yes
Molecular Formula
C48H28MnN4O8
Molecular Weight
843.700000
Exact Mass
843.128757
InChI
InChI=1S/C48H30N4O8.Mn/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58;/h1-24H,(H6,49,50,51,52,53,54,55,56,57,58,59,60);/q;+2/p-2
InChIKey
RLBVUQKTGBHUFL-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
44
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
226.38
TPSA
203.18

LogP / Solubility

WLOGP
9.37
MLOGP
8.32
XLogP3
9.37
Consensus LogP
9.02
Log S (ESOL)
-10.98
Class (ESOL)
Insoluble
Log S (Ali)
-13.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.88
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.21

Drug-likeness / Medicinal Chemistry

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

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