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CAS 56047-84-8 5,10,15,20-TETRAKIS(4-SULFONATOPHENYL)-21H,23H-PORPHINE COPPER(II) molecular structure lightbox
CAS RN: 56047-84-8

5,10,15,20-TETRAKIS(4-SULFONATOPHENYL)-21H,23H-PORPHINE COPPER(II)

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260426 100mg In stock Inquiry
Batchno.20260223 1g Out of stock Inquiry
Batchno.20250311 250mg In stock Inquiry
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  • Product code: starshine_CAS56047-84-8
  • Purity/Analytical Methods: >99.0%
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56047-84-8 / copper 4-[10,15,20-tris(4-sulfophenyl)porphyrin-22,24-diid-5-yl]benzenesulfonic acid

Standard CAS: 56047-84-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56047-84-8
Multi CAS
No
Molecular Formula
C45H28N4O12S4U
Molecular Weight
996.500000
Exact Mass
994.988254
InChI
InChI=1S/C44H28N4O12S4.Cu/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);/q-2;+2
InChIKey
FBYAOHXWXCVHGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
65
Aromatic heavy atom count
44
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
4
Molar refractivity
237.8
TPSA
271.46

LogP / Solubility

WLOGP
7.57
MLOGP
6.75
XLogP3
7.57
Consensus LogP
7.3
Log S (ESOL)
-10.76
Class (ESOL)
Insoluble
Log S (Ali)
-13.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.38
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)
-3.43

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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