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CAS 609365-68-6 4′,4”’,4””’,4”””’-(porphyrin-5,10,15,20-tetrayl)tetrakis(([1,1′-biphenyl]-4-carboxylic acid)) molecular structure lightbox
CAS RN: 609365-68-6

4′,4”’,4””’,4”””’-(porphyrin-5,10,15,20-tetrayl)tetrakis(([1,1′-biphenyl]-4-carboxylic acid))

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS609365-68-6
  • Purity/Analytical Methods: >99.0%
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609365-68-6 / 4-[4-[10,15,20-tris[4-(4-carboxyphenyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]benzoic acid

Standard CAS: 609365-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
609365-68-6
Multi CAS
No
Molecular Formula
C72H46N4O8
Molecular Weight
1095.200000
Exact Mass
1094.331564
InChI
InChI=1S/C72H46N4O8/c77-69(78)53-25-9-45(10-26-53)41-1-17-49(18-2-41)65-57-33-35-59(73-57)66(50-19-3-42(4-20-50)46-11-27-54(28-12-46)70(79)80)61-37-39-63(75-61)68(52-23-7-44(8-24-52)48-15-31-56(32-16-48)72(83)84)64-40-38-62(76-64)67(60-36-34-58(65)74-60)51-21-5-43(6-22-51)47-13-29-55(30-14-47)71(81)82/h1-40,73,76H,(H,77,78)(H,79,80)(H,81,82)(H,83,84)
InChIKey
PLGNSZYEWBJPKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
84
Aromatic heavy atom count
68
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
6
Molar refractivity
330.18
TPSA
206.56

LogP / Solubility

WLOGP
16.78
MLOGP
14.88
XLogP3
15
Consensus LogP
15.55
Log S (ESOL)
-17.01
Class (ESOL)
Insoluble
Log S (Ali)
-20.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.15
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)
2.52

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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