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CAS 69458-20-4 5,10,15,20-TETRAKIS[4-(TRIMETHYLAMMONIO)PHENYL]-21H,23H-PORPHINE TETRA-P-TOSYLATE SALT molecular structure lightbox
CAS RN: 69458-20-4

5,10,15,20-TETRAKIS[4-(TRIMETHYLAMMONIO)PHENYL]-21H,23H-PORPHINE TETRA-P-TOSYLATE SALT

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251101 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260309 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS69458-20-4
  • Purity/Analytical Methods: >99.0%
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69458-20-4 / tetrakis(4-methylbenzenesulfonate);trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]azanium

Standard CAS: 69458-20-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69458-20-4
Multi CAS
Yes
Molecular Formula
C84H90N8O12S4
Molecular Weight
1531.900000
Exact Mass
1530.556105
InChI
InChI=1S/C56H62N8.4C7H8O3S/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9;4*1-6-2-4-7(5-3-6)11(8,9)10/h13-36,57-58H,1-12H3;4*2-5H,1H3,(H,8,9,10)/q+4;;;;/p-4
InChIKey
AKFPMEOALZKHNR-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
108
Aromatic heavy atom count
68
Fraction Csp3
0.19
Rotatable bonds
12
H-bond acceptors
14
H-bond donors
2
Molar refractivity
435.43
TPSA
286.16

LogP / Solubility

WLOGP
15.71
MLOGP
13.98
XLogP3
15.71
Consensus LogP
15.13
Log S (ESOL)
-18.91
Class (ESOL)
Insoluble
Log S (Ali)
-23.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.09
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)
-0.91

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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