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CAS 36965-71-6 5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHINE IRON(III) CHLORIDE molecular structure lightbox
CAS RN: 36965-71-6

5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHINE IRON(III) CHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250906 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS36965-71-6
  • Purity/Analytical Methods: >99.0%
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36965-71-6 / iron(3+);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide;chloride

Standard CAS: 36965-71-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36965-71-6
Multi CAS
Yes
Molecular Formula
C44H8CLF20FEN4
Molecular Weight
1063.800000
Exact Mass
1062.946748
InChI
InChI=1S/C44H10F20N4.2ClH.Fe/c45-23-20(24(46)30(52)35(57)29(23)51)17-15-6-5-13(67-15)8-12-2-1-10(65-12)7-11-3-4-14(66-11)9-16-18(21-25(47)31(53)36(58)32(54)26(21)48)19(22-27(49)33(55)37(59)34(56)28(22)50)43(17)68(16)44-41(63)39(61)38(60)40(62)42(44)64;;;/h1-9,65H;2*1H;/q;;;+2/p-2
InChIKey
OFOJZPSXEPSRPZ-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
70
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
197.7
TPSA
53.98

LogP / Solubility

WLOGP
10.37
MLOGP
9.23
XLogP3
10.37
Consensus LogP
9.99
Log S (ESOL)
-13.17
Class (ESOL)
Insoluble
Log S (Ali)
-15.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.66
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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