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CAS 83294-30-8 zinc meso-tetrakis(4-carboxyphenyl)porphyrin molecular structure lightbox
CAS RN: 83294-30-8

zinc meso-tetrakis(4-carboxyphenyl)porphyrin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS83294-30-8
  • Purity/Analytical Methods: >99.0%
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83294-30-8 / zinc 4-[10,15,20-tris(4-carboxylatophenyl)porphyrin-22,24-diid-5-yl]benzoate

Standard CAS: 83294-30-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83294-30-8
Multi CAS
Yes
Molecular Formula
C48H24N4O8ZN-4
Molecular Weight
850.100000
Exact Mass
848.088556
InChI
InChI=1S/C48H30N4O8.2Zn/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;;/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60);;/q;2*+2/p-4
InChIKey
SEKBPMBXYZCVSM-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
44
Rotatable bonds
8
H-bond acceptors
10
Molar refractivity
215.86
TPSA
214.5

LogP / Solubility

WLOGP
4.03
MLOGP
3.63
XLogP3
4.03
Consensus LogP
3.9
Log S (ESOL)
-7.66
Class (ESOL)
Insoluble
Log S (Ali)
-9.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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